 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_M11-augccpVDZr.in
 Output=14_bornylOAc_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/14_bornylOAc_STD/Gau-76800.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     76801.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=14_bornylOAc_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 22:22:40 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 22:22:40 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Fri Jul  9 22:22:40 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  42 primitive shells out of 552 were deleted.
 There are   530 symmetry adapted cartesian basis functions of A   symmetry.
 There are   502 symmetry adapted basis functions of A   symmetry.
   502 basis functions,   898 primitive gaussians,   530 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul  9 22:22:41 2021, MaxMem= 17179869184 cpu:              15.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   502 RedAO= T EigKep=  1.57D-06  NBF=   502
 NBsUse=   502 1.00D-06 EigRej= -1.00D+00 NBFU=   502
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   530   530   530   530   530 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Fri Jul  9 22:22:42 2021, MaxMem= 17179869184 cpu:               7.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 22:22:42 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 22:22:43 2021, MaxMem= 17179869184 cpu:               9.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179295890 LenY= 17179014460
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -619.483448998887    
 DIIS: error= 2.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -619.483448998887     IErMin= 1 ErrMin= 2.45D-03
 ErrMax= 2.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-02 BMatP= 1.90D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.480 Goal=   None    Shift=    0.000
 GapD=    0.480 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.06D-02 MaxDP=3.95D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.60D-02    CP:  1.52D+00
 E= -619.501049069206     Delta-E=       -0.017600070320 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -619.501049069206     IErMin= 2 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-04 BMatP= 1.90D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.213D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.210D-02 0.100D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.54D-03 MaxDP=7.69D-01 DE=-1.76D-02 OVMax= 6.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.76D-03    CP:  1.62D+00  1.16D+00
 E= -619.501388637054     Delta-E=       -0.000339567848 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -619.501388637054     IErMin= 3 ErrMin= 1.11D-03
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.25D-04 BMatP= 8.06D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.11D-02
 Coeff-Com: -0.435D-01 0.506D+00 0.538D+00
 Coeff-En:   0.000D+00 0.289D+00 0.711D+00
 Coeff:     -0.430D-01 0.503D+00 0.540D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.56D-04 MaxDP=9.24D-02 DE=-3.40D-04 OVMax= 3.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.93D-04    CP:  1.63D+00  1.18D+00  1.09D+00
 E= -619.501875767509     Delta-E=       -0.000487130455 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -619.501875767509     IErMin= 4 ErrMin= 1.29D-04
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.80D-06 BMatP= 7.25D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.29D-03
 Coeff-Com: -0.466D-02-0.137D-01 0.697D-01 0.949D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.465D-02-0.137D-01 0.696D-01 0.949D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.82D-04 MaxDP=2.59D-02 DE=-4.87D-04 OVMax= 8.90D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.01D-04    CP:  1.63D+00  1.19D+00  1.15D+00  1.14D+00
 E= -619.501885517291     Delta-E=       -0.000009749782 Rises=F Damp=F
 DIIS: error= 5.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -619.501885517291     IErMin= 5 ErrMin= 5.06D-05
 ErrMax= 5.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-06 BMatP= 9.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-02-0.450D-01-0.121D-01 0.438D+00 0.618D+00
 Coeff:      0.118D-02-0.450D-01-0.121D-01 0.438D+00 0.618D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.35D-05 MaxDP=2.58D-03 DE=-9.75D-06 OVMax= 3.48D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.63D+00  1.19D+00  1.15D+00  1.14D+00  1.23D+00
 E= -619.501887794976     Delta-E=       -0.000002277684 Rises=F Damp=F
 DIIS: error= 1.49D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -619.501887794976     IErMin= 6 ErrMin= 1.49D-05
 ErrMax= 1.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-07 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-02-0.178D-01-0.169D-01 0.631D-01 0.279D+00 0.691D+00
 Coeff:      0.119D-02-0.178D-01-0.169D-01 0.631D-01 0.279D+00 0.691D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.49D-05 MaxDP=2.25D-03 DE=-2.28D-06 OVMax= 1.13D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.06D-06    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.30D+00
                    CP:  1.16D+00
 E= -619.501888086589     Delta-E=       -0.000000291614 Rises=F Damp=F
 DIIS: error= 3.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -619.501888086589     IErMin= 7 ErrMin= 3.26D-06
 ErrMax= 3.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-08 BMatP= 3.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.237D-03-0.514D-03-0.422D-02-0.271D-01 0.207D-01 0.218D+00
 Coeff-Com:  0.793D+00
 Coeff:      0.237D-03-0.514D-03-0.422D-02-0.271D-01 0.207D-01 0.218D+00
 Coeff:      0.793D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=7.59D-06 MaxDP=1.31D-03 DE=-2.92D-07 OVMax= 4.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.52D-06    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.33D+00
                    CP:  1.20D+00  1.29D+00
 E= -619.501888113417     Delta-E=       -0.000000026828 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -619.501888113417     IErMin= 8 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-09 BMatP= 2.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.553D-04 0.152D-02 0.487D-03-0.128D-01-0.236D-01-0.226D-01
 Coeff-Com:  0.184D+00 0.873D+00
 Coeff:     -0.553D-04 0.152D-02 0.487D-03-0.128D-01-0.236D-01-0.226D-01
 Coeff:      0.184D+00 0.873D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.00D-06 MaxDP=4.41D-04 DE=-2.68D-08 OVMax= 1.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.34D+00
                    CP:  1.25D+00  1.40D+00  1.28D+00
 E= -619.501888115975     Delta-E=       -0.000000002558 Rises=F Damp=F
 DIIS: error= 4.49D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -619.501888115975     IErMin= 9 ErrMin= 4.49D-07
 ErrMax= 4.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-10 BMatP= 1.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.392D-04 0.598D-03 0.564D-03-0.209D-02-0.106D-01-0.299D-01
 Coeff-Com: -0.212D-02 0.338D+00 0.706D+00
 Coeff:     -0.392D-04 0.598D-03 0.564D-03-0.209D-02-0.106D-01-0.299D-01
 Coeff:     -0.212D-02 0.338D+00 0.706D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.61D-07 MaxDP=4.97D-05 DE=-2.56D-09 OVMax= 4.20D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.08D-07    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.34D+00
                    CP:  1.25D+00  1.42D+00  1.37D+00  1.04D+00
 E= -619.501888116185     Delta-E=       -0.000000000210 Rises=F Damp=F
 DIIS: error= 9.97D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -619.501888116185     IErMin=10 ErrMin= 9.97D-08
 ErrMax= 9.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-11 BMatP= 2.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.994D-06-0.704D-04 0.502D-04 0.117D-02 0.114D-02-0.339D-02
 Coeff-Com: -0.208D-01-0.453D-01 0.115D+00 0.952D+00
 Coeff:     -0.994D-06-0.704D-04 0.502D-04 0.117D-02 0.114D-02-0.339D-02
 Coeff:     -0.208D-01-0.453D-01 0.115D+00 0.952D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.70D-07 MaxDP=4.80D-05 DE=-2.10D-10 OVMax= 1.93D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.34D+00
                    CP:  1.25D+00  1.43D+00  1.41D+00  1.10D+00  1.11D+00
 E= -619.501888116292     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 2.83D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -619.501888116292     IErMin=11 ErrMin= 2.83D-08
 ErrMax= 2.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-12 BMatP= 1.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.298D-05-0.676D-04-0.331D-04 0.477D-03 0.118D-02 0.123D-02
 Coeff-Com: -0.498D-02-0.385D-01-0.231D-01 0.236D+00 0.828D+00
 Coeff:      0.298D-05-0.676D-04-0.331D-04 0.477D-03 0.118D-02 0.123D-02
 Coeff:     -0.498D-02-0.385D-01-0.231D-01 0.236D+00 0.828D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.75D-08 MaxDP=9.89D-06 DE=-1.07D-10 OVMax= 7.60D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.53D-08    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.34D+00
                    CP:  1.25D+00  1.43D+00  1.41D+00  1.11D+00  1.19D+00
                    CP:  1.12D+00
 E= -619.501888116430     Delta-E=       -0.000000000138 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -619.501888116430     IErMin=12 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-13 BMatP= 1.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.525D-06-0.133D-05-0.119D-04-0.713D-04 0.593D-04 0.518D-03
 Coeff-Com:  0.186D-02-0.803D-03-0.166D-01-0.850D-01 0.151D+00 0.949D+00
 Coeff:      0.525D-06-0.133D-05-0.119D-04-0.713D-04 0.593D-04 0.518D-03
 Coeff:      0.186D-02-0.803D-03-0.166D-01-0.850D-01 0.151D+00 0.949D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.83D-08 MaxDP=1.42D-06 DE=-1.38D-10 OVMax= 4.87D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.63D+00  1.19D+00  1.15D+00  1.15D+00  1.34D+00
                    CP:  1.25D+00  1.43D+00  1.41D+00  1.11D+00  1.20D+00
                    CP:  1.20D+00  1.19D+00
 E= -619.501888116376     Delta-E=        0.000000000054 Rises=F Damp=F
 DIIS: error= 7.83D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -619.501888116430     IErMin=13 ErrMin= 7.83D-09
 ErrMax= 7.83D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-14 BMatP= 2.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.376D-06 0.101D-04 0.306D-05-0.831D-04-0.156D-03-0.114D-03
 Coeff-Com:  0.116D-02 0.572D-02 0.901D-03-0.524D-01-0.100D+00 0.169D+00
 Coeff-Com:  0.976D+00
 Coeff:     -0.376D-06 0.101D-04 0.306D-05-0.831D-04-0.156D-03-0.114D-03
 Coeff:      0.116D-02 0.572D-02 0.901D-03-0.524D-01-0.100D+00 0.169D+00
 Coeff:      0.976D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=7.64D-09 MaxDP=9.19D-07 DE= 5.43D-11 OVMax= 2.63D-07

 SCF Done:  E(RM11) =  -619.501888116     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0067
 KE= 6.153925513712D+02 PE=-3.470429701291D+03 EE= 1.220618006376D+03
 Leave Link  502 at Fri Jul  9 22:32:26 2021, MaxMem= 17179869184 cpu:            6973.7 elap:             582.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   502
 NBasis=   502 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    502 NOA=    54 NOB=    54 NVA=   448 NVB=   448

 **** Warning!!: The largest alpha MO coefficient is  0.10550541D+03

 Leave Link  801 at Fri Jul  9 22:32:26 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10525 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.03D-13 8.33D-09 XBig12= 1.00D+00 1.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.03D-13 8.33D-09 XBig12= 1.82D-01 2.96D-02.
     11 vectors produced by pass  2 Test12= 4.03D-13 8.33D-09 XBig12= 3.59D-02 1.56D-02.
     11 vectors produced by pass  3 Test12= 4.03D-13 8.33D-09 XBig12= 2.59D-03 4.90D-03.
     11 vectors produced by pass  4 Test12= 4.03D-13 8.33D-09 XBig12= 3.36D-04 1.23D-03.
     11 vectors produced by pass  5 Test12= 4.03D-13 8.33D-09 XBig12= 6.11D-05 6.53D-04.
     11 vectors produced by pass  6 Test12= 4.03D-13 8.33D-09 XBig12= 5.45D-06 2.41D-04.
     11 vectors produced by pass  7 Test12= 4.03D-13 8.33D-09 XBig12= 2.51D-07 4.24D-05.
     11 vectors produced by pass  8 Test12= 4.03D-13 8.33D-09 XBig12= 7.05D-09 5.08D-06.
     11 vectors produced by pass  9 Test12= 4.03D-13 8.33D-09 XBig12= 1.66D-10 7.92D-07.
      9 vectors produced by pass 10 Test12= 4.03D-13 8.33D-09 XBig12= 3.81D-12 1.45D-07.
      4 vectors produced by pass 11 Test12= 4.03D-13 8.33D-09 XBig12= 1.06D-13 2.82D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.165719D+03
      2 -0.209761D+01  0.139964D+03
      3 -0.765993D+00 -0.457057D+00  0.134183D+03
 Isotropic polarizability for W=    0.085645      146.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.145544D+02  0.455570D+01 -0.488391D+00
      2   0.119512D+02  0.437275D+01 -0.113283D+02
      3   0.260322D+01 -0.892845D+01  0.118167D+02
      4  -0.110125D+02 -0.546445D+02 -0.130630D+02
      5   0.654236D+01 -0.119828D+02 -0.106424D+03
      6  -0.509187D+01  0.105177D+01 -0.331784D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.233956D+00  0.999404D+00  0.809778D+01
      2  -0.205063D+00 -0.446110D+01 -0.506903D+02
      3  -0.550585D+01  0.239285D+02  0.359551D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.108018D+01  0.123800D+02  0.242499D+02
      2  -0.703075D+01 -0.797115D+01 -0.109028D+03
      3  -0.155682D+02  0.665957D+02  0.689097D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.162751D+00  0.470076D+00  0.437238D+00
      2   0.470076D+00 -0.312010D+00  0.138646D+01
      3   0.437238D+00  0.138646D+01 -0.624785D+00
 OR G Eigenvalues:    -1.8638    -0.4598     1.2240  Iso=     0.3665
 Eigenvectors:
   (1)  -0.008258  -0.664861   0.746922
   (2)   0.907457  -0.318758  -0.273704
   (3)   0.420063   0.675539   0.605965
 w=    0.085645 a.u., Optical Rotation Beta=      0.3665 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       88.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  126253 ScalPx= 2.88D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.42D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.72D-14 2.78D-09 XBig12= 1.00D+00 2.89D-01.
     30 vectors produced by pass  1 Test12= 6.72D-14 2.78D-09 XBig12= 3.21D-02 2.12D-02.
     30 vectors produced by pass  2 Test12= 6.72D-14 2.78D-09 XBig12= 2.42D-03 5.23D-03.
     30 vectors produced by pass  3 Test12= 6.72D-14 2.78D-09 XBig12= 6.72D-05 8.94D-04.
     30 vectors produced by pass  4 Test12= 6.72D-14 2.78D-09 XBig12= 1.61D-06 1.45D-04.
     30 vectors produced by pass  5 Test12= 6.72D-14 2.78D-09 XBig12= 3.49D-08 1.29D-05.
     30 vectors produced by pass  6 Test12= 6.72D-14 2.78D-09 XBig12= 5.17D-10 1.64D-06.
     30 vectors produced by pass  7 Test12= 6.72D-14 2.78D-09 XBig12= 6.78D-12 1.93D-07.
     25 vectors produced by pass  8 Test12= 6.72D-14 2.78D-09 XBig12= 8.19D-14 1.94D-08.
      7 vectors produced by pass  9 Test12= 6.72D-14 2.78D-09 XBig12= 4.12D-15 5.04D-09.
      2 vectors produced by pass 10 Test12= 6.72D-14 2.78D-09 XBig12= 2.69D-15 3.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   274 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 3.81D+06
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 3.81D+06
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.81D+06
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.165719D+03 -0.209761D+01 -0.765993D+00
      2  -0.209761D+01  0.139964D+03 -0.457057D+00
      3  -0.765993D+00 -0.457057D+00  0.134183D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.233956D+00  0.999404D+00  0.809778D+01
      2  -0.205063D+00 -0.446110D+01 -0.506903D+02
      3  -0.550585D+01  0.239285D+02  0.359551D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.145544D+02  0.455570D+01 -0.488391D+00
      2   0.119512D+02  0.437275D+01 -0.113283D+02
      3   0.260322D+01 -0.892845D+01  0.118167D+02
      4  -0.110125D+02 -0.546445D+02 -0.130630D+02
      5   0.654236D+01 -0.119828D+02 -0.106424D+03
      6  -0.509187D+01  0.105177D+01 -0.331784D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308761D+01  0.306097D+01  0.387937D+01  0.257170D+01  0.656777D+00
      2   0.306097D+01  0.105028D+01  0.800873D-01  0.656777D+00 -0.320396D+01
      3   0.387937D+01  0.800873D-01 -0.300946D+01  0.105036D+01 -0.260386D+00
                 6             7             8             9            10 
      1   0.105036D+01  0.242033D+01  0.167205D+00 -0.200690D+01 -0.258646D+01
      2  -0.260386D+00  0.167205D+00  0.328619D+00  0.186996D+01  0.424935D+01
      3   0.346104D+01 -0.200690D+01  0.186996D+01  0.346796D+01 -0.140112D+01
                11            12            13            14            15 
      1   0.424935D+01 -0.140112D+01  0.346876D+01  0.616737D-01 -0.143153D+01
      2   0.312914D-01 -0.145642D+01  0.616737D-01  0.431093D+00 -0.322691D+01
      3  -0.145642D+01  0.196183D+01 -0.143153D+01 -0.322691D+01 -0.271977D+01
                16            17            18            19            20 
      1  -0.793872D+00 -0.162317D+01  0.111704D+01 -0.227737D+01 -0.275947D+01
      2  -0.162317D+01 -0.289585D+01 -0.131469D+01 -0.275947D+01 -0.367923D+00
      3   0.111704D+01 -0.131469D+01  0.113482D+01 -0.251883D+01  0.113219D+01
                21            22            23            24            25 
      1  -0.251883D+01 -0.321985D+01 -0.710866D-01  0.185474D+00 -0.132187D+01
      2   0.113219D+01 -0.710866D-01  0.420976D+01  0.688558D+00 -0.561002D+00
      3  -0.262777D+01  0.185474D+00  0.688558D+00  0.204674D+01  0.379756D+01
                26            27            28            29            30 
      1  -0.561002D+00  0.379756D+01  0.860597D+00  0.189537D+01  0.174952D+01
      2   0.359333D+00 -0.169553D+01  0.189537D+01 -0.137559D+00 -0.490992D-01
      3  -0.169553D+01 -0.691144D+01  0.174952D+01 -0.490992D-01 -0.299189D+01
                31            32            33            34            35 
      1   0.238966D+01 -0.631335D+00 -0.965706D+00  0.340657D+00  0.112307D+00
      2  -0.631335D+00 -0.534166D+01  0.180083D+01  0.112307D+00  0.580410D+00
      3  -0.965706D+00  0.180083D+01  0.554067D+00 -0.306851D+01  0.129061D+01
                36            37            38            39            40 
      1  -0.306851D+01 -0.433349D+01  0.151174D+01 -0.149729D+01  0.269428D+01
      2   0.129061D+01  0.151174D+01  0.917793D+00 -0.994600D+00 -0.263841D+00
      3   0.138538D+01 -0.149729D+01 -0.994600D+00  0.280977D+01 -0.794154D+00
                41            42            43            44            45 
      1  -0.263841D+00 -0.794154D+00  0.465123D+00 -0.914643D+00  0.164711D+01
      2  -0.767281D+00 -0.268824D+01 -0.914643D+00 -0.153403D+01 -0.187239D+01
      3  -0.268824D+01 -0.180462D+01  0.164711D+01 -0.187239D+01  0.205769D+01
                46            47            48            49            50 
      1   0.200106D+01 -0.476681D+01  0.282934D+01 -0.625262D+01  0.968826D+00
      2  -0.476681D+01  0.115981D+01  0.932259D+00  0.968826D+00  0.533697D+00
      3   0.282934D+01  0.932259D+00 -0.692781D+00  0.721312D+00  0.373791D+01
                51            52            53            54            55 
      1   0.721312D+00  0.357969D+01 -0.200329D-02 -0.171703D+00 -0.584732D+01
      2   0.373791D+01 -0.200329D-02  0.436727D+01  0.189667D+01 -0.282325D+01
      3   0.212289D+01 -0.171703D+00  0.189667D+01 -0.399076D+01 -0.281692D+01
                56            57            58            59            60 
      1  -0.282325D+01 -0.281692D+01 -0.226252D+01 -0.202426D+01 -0.126016D+01
      2  -0.254196D+01 -0.161310D+01 -0.202426D+01 -0.212727D+01 -0.124838D+01
      3  -0.161310D+01 -0.216919D+01 -0.126016D+01 -0.124838D+01 -0.172052D+01
                61            62            63            64            65 
      1  -0.185351D+01 -0.917378D+00 -0.178558D+01  0.206223D+01 -0.132896D+01
      2  -0.917378D+00 -0.100155D+01 -0.119062D+01 -0.132896D+01  0.142144D+01
      3  -0.178558D+01 -0.119062D+01 -0.274616D+01 -0.244190D+01  0.122741D+01
                66            67            68            69            70 
      1  -0.244190D+01 -0.959408D+00  0.896761D+00 -0.213983D+00 -0.195769D+01
      2   0.122741D+01  0.896761D+00 -0.128694D+01 -0.974184D+00  0.809231D+00
      3   0.420181D+01 -0.213983D+00 -0.974184D+00 -0.337369D+01  0.182393D+01
                71            72            73            74            75 
      1   0.809231D+00  0.182393D+01  0.557619D+01 -0.299207D+01  0.262940D+00
      2  -0.183486D+01 -0.202323D+01 -0.299207D+01  0.337572D+01  0.273084D+00
      3  -0.202323D+01 -0.769501D+01  0.262940D+00  0.273084D+00  0.826924D+00
                76            77            78            79            80 
      1  -0.217076D+01  0.223200D+01  0.186653D+00  0.881952D-01  0.220853D+00
      2   0.223200D+01 -0.340104D+01  0.268797D+00  0.220853D+00  0.210914D+00
      3   0.186653D+00  0.268797D+00 -0.445952D+00  0.683658D+00 -0.608207D+00
                81            82            83            84            85 
      1   0.683658D+00 -0.251756D+01 -0.239115D+01  0.821660D+00 -0.205468D+01
      2  -0.608207D+00 -0.239115D+01 -0.308185D+01  0.105943D+01 -0.218953D+01
      3  -0.201672D+00  0.821660D+00  0.105943D+01 -0.171328D+01  0.645438D+00
                86            87            88            89            90 
      1  -0.218953D+01  0.645438D+00  0.958516D+00  0.996823D+00 -0.945192D+00
      2  -0.536854D+01  0.178051D+01  0.996823D+00  0.232906D+01 -0.142835D+01
      3   0.178051D+01 -0.118267D+01 -0.945192D+00 -0.142835D+01  0.159777D+01
                91            92            93            94            95 
      1  -0.955351D+00  0.533480D+01 -0.872556D+00  0.648425D+01 -0.428771D+00
      2   0.533480D+01 -0.123927D+01 -0.203526D+00 -0.428771D+00 -0.372662D+01
      3  -0.872556D+00 -0.203526D+00 -0.106794D+01  0.351090D+00 -0.282143D+01
                96            97            98            99           100 
      1   0.351090D+00 -0.118895D+01  0.428813D+00 -0.311286D+01 -0.290660D+01
      2  -0.282143D+01  0.428813D+00 -0.266893D+01  0.144263D+00  0.145060D+01
      3  -0.687590D+00 -0.311286D+01  0.144263D+00  0.802924D+01 -0.150105D+01
               101           102           103           104           105 
      1   0.145060D+01 -0.150105D+01  0.158865D+01 -0.120950D+01  0.519312D+00
      2  -0.101701D+01  0.193468D+00 -0.120950D+01  0.179145D+01 -0.167990D+01
      3   0.193468D+00  0.796721D-01  0.519312D+00 -0.167990D+01  0.483405D+00
               106           107           108           109           110 
      1  -0.181443D+01  0.703596D+00 -0.241999D+01  0.437134D+00  0.932572D+00
      2   0.703596D+00 -0.158772D+01  0.172745D+01  0.932572D+00  0.511622D+00
      3  -0.241999D+01  0.172745D+01 -0.402517D+01 -0.802563D-01 -0.387658D+00
               111           112           113           114           115 
      1  -0.802563D-01  0.147717D+01  0.874295D+00 -0.105304D+00 -0.269151D+00
      2  -0.387658D+00  0.874295D+00  0.808434D+01 -0.221320D+01  0.433589D-01
      3   0.105321D+01 -0.105304D+00 -0.221320D+01  0.197813D+01 -0.761524D-01
               116           117           118           119           120 
      1   0.433589D-01 -0.761524D-01  0.410758D+01 -0.734692D+00 -0.173794D+01
      2  -0.126468D+01  0.163645D+01 -0.734692D+00  0.727591D+00 -0.400629D+00
      3   0.163645D+01 -0.227031D+01 -0.173794D+01 -0.400629D+00  0.457596D+01
               121           122           123           124           125 
      1  -0.152621D+01  0.508270D+00  0.113414D+01 -0.278685D+01  0.145744D+00
      2   0.508270D+00  0.697987D-01 -0.126613D+01  0.145744D+00 -0.958541D+00
      3   0.113414D+01 -0.126613D+01 -0.808861D+00  0.256672D+01 -0.285080D+00
               126           127           128           129           130 
      1   0.256672D+01  0.205218D+01  0.898063D+00  0.981202D+00  0.224413D+01
      2  -0.285080D+00  0.898063D+00  0.170740D+00  0.373358D+00  0.181311D+00
      3  -0.538254D+01  0.981202D+00  0.373358D+00  0.186912D+00  0.559530D+00
               131           132           133           134           135 
      1   0.181311D+00  0.559530D+00  0.143442D+01  0.415368D+00  0.383971D+00
      2   0.312471D+01  0.167567D+01  0.415368D+00  0.178283D+01  0.159795D+01
      3   0.167567D+01  0.229696D+01  0.383971D+00  0.159795D+01  0.271582D+01
               136           137           138           139           140 
      1   0.279346D+00 -0.206513D+01  0.580459D+00 -0.551556D+01  0.442080D+00
      2  -0.206513D+01 -0.140228D+01 -0.227290D+00  0.442080D+00 -0.199556D+01
      3   0.580459D+00 -0.227290D+00 -0.156733D+01 -0.158446D-01  0.626326D+00
               141           142           143           144           145 
      1  -0.158446D-01  0.601272D+00 -0.220975D+00 -0.406558D+00 -0.346433D+00
      2   0.626326D+00 -0.220975D+00  0.217474D+00 -0.596647D+00  0.484419D+01
      3  -0.366488D+00 -0.406558D+00 -0.596647D+00  0.437279D+00 -0.398714D+01
               146           147           148           149           150 
      1   0.484419D+01 -0.398714D+01  0.489900D+01 -0.271467D+00 -0.170435D+00
      2  -0.411505D+00  0.129230D+00 -0.271467D+00 -0.136860D+01 -0.427399D+01
      3   0.129230D+00 -0.113933D+01 -0.170435D+00 -0.427399D+01 -0.160441D+01
               151           152           153           154           155 
      1  -0.310001D+01 -0.482965D-01  0.109557D+00 -0.110332D+00 -0.387529D+01
      2  -0.482965D-01 -0.335817D+01 -0.174144D+01 -0.387529D+01  0.358933D+00
      3   0.109557D+00 -0.174144D+01  0.283940D+01  0.166188D+01 -0.302519D+00
               156           157           158           159           160 
      1   0.166188D+01 -0.489320D+01  0.112983D+01 -0.100397D+01  0.247391D+01
      2  -0.302519D+00  0.112983D+01  0.423925D+01  0.239532D+01 -0.934512D+00
      3   0.176838D+01 -0.100397D+01  0.239532D+01 -0.107062D+01  0.449476D+01
               161           162           163           164           165 
      1  -0.934512D+00  0.449476D+01 -0.159609D+00 -0.512824D+01  0.139515D+01
      2   0.242774D+01 -0.892660D+00 -0.512824D+01  0.477483D+00 -0.778257D+00
      3  -0.892660D+00 -0.408726D+01  0.139515D+01 -0.778257D+00  0.173632D+01
               166           167           168           169           170 
      1  -0.485853D+01  0.821012D-01 -0.125038D+01  0.230314D+01 -0.142549D+01
      2   0.821012D-01  0.215857D+01  0.296946D+01 -0.142549D+01  0.330431D+01
      3  -0.125038D+01  0.296946D+01 -0.830495D+00  0.377358D+01 -0.198946D+01
               171           172           173           174           175 
      1   0.377358D+01  0.481591D+01 -0.260878D+01  0.299694D+01 -0.266104D+01
      2  -0.198946D+01 -0.260878D+01  0.212796D+01 -0.175132D+01  0.178759D+01
      3  -0.346431D+01  0.299694D+01 -0.175132D+01  0.401308D+01 -0.123130D+01
               176           177           178           179           180 
      1   0.178759D+01 -0.123130D+01  0.160820D+01 -0.729150D+00  0.178157D+01
      2  -0.236323D+01  0.213576D+01 -0.729150D+00  0.116351D+01 -0.123471D+01
      3   0.213576D+01 -0.209774D+01  0.178157D+01 -0.123471D+01  0.236329D+01
               181           182           183           184           185 
      1  -0.420614D+01 -0.229610D+01  0.229596D+01 -0.246480D+01 -0.159969D+01
      2  -0.229610D+01 -0.189946D+01  0.143622D+01 -0.159969D+01 -0.221291D+01
      3   0.229596D+01  0.143622D+01 -0.314857D+01  0.100132D+01  0.199618D+01
               186           187           188           189           190 
      1   0.100132D+01  0.166133D+01  0.734067D+00 -0.162666D+01  0.144282D+00
      2   0.199618D+01  0.734067D+00  0.113128D+01 -0.104526D+01  0.277206D+00
      3  -0.203725D+01 -0.162666D+01 -0.104526D+01  0.209572D+01  0.107956D+01
               191           192           193           194           195 
      1   0.277206D+00  0.107956D+01  0.677770D+00  0.354465D-01  0.251023D+00
      2   0.973301D-01  0.163871D+00  0.354465D-01  0.407744D+01  0.268991D+01
      3   0.163871D+00  0.200314D+00  0.251023D+00  0.268991D+01  0.440500D+01
               196           197           198           199           200 
      1   0.767392D+00  0.985208D-01 -0.394372D-01 -0.449819D+00 -0.987978D+00
      2   0.985208D-01  0.193558D+01  0.240636D+01 -0.987978D+00 -0.927703D+00
      3  -0.394372D-01  0.240636D+01  0.374359D+01 -0.518259D+00 -0.972669D-01
               201           202           203           204           205 
      1  -0.518259D+00 -0.210326D+01 -0.178189D+01  0.275445D+00 -0.114181D+01
      2  -0.972669D-01 -0.178189D+01 -0.603003D+01 -0.131408D+01 -0.203161D-01
      3  -0.178081D+00  0.275445D+00 -0.131408D+01 -0.496718D+00 -0.970177D+00
               206           207           208           209           210 
      1  -0.203161D-01 -0.970177D+00 -0.725876D+01  0.190420D+01 -0.175284D+01
      2  -0.129886D+01 -0.585761D+00  0.190420D+01 -0.108849D+01  0.201715D+00
      3  -0.585761D+00 -0.113779D+01 -0.175284D+01  0.201715D+00 -0.583689D+00
               211           212           213           214           215 
      1   0.393746D+01 -0.185532D+01  0.836755D+00 -0.399841D+01  0.930264D+00
      2  -0.185532D+01  0.130652D+01 -0.879829D+00  0.930264D+00 -0.113897D+01
      3   0.836755D+00 -0.879829D+00  0.858510D+00 -0.249724D+01  0.796197D+00
               216           217           218           219           220 
      1  -0.249724D+01 -0.257816D+01  0.365229D+00  0.154486D+01  0.857588D+00
      2   0.796197D+00  0.365229D+00 -0.403162D+00  0.311777D+00 -0.745800D+00
      3  -0.148052D+01  0.154486D+01  0.311777D+00 -0.247344D+01  0.970486D-01
               221           222           223           224           225 
      1  -0.745800D+00  0.970486D-01  0.357731D+01  0.227698D+00 -0.353010D+01
      2  -0.234427D+00  0.617481D+00  0.227698D+00  0.852063D+00 -0.562385D-01
      3   0.617481D+00  0.533399D+00 -0.353010D+01 -0.562385D-01  0.678813D+01
               226           227           228           229           230 
      1   0.396702D+01  0.200127D+01 -0.578209D+00  0.208365D+01  0.185975D+01
      2   0.200127D+01  0.291372D+01  0.446862D+00  0.185975D+01  0.339593D+01
      3  -0.578209D+00  0.446862D+00  0.399211D+00 -0.314879D-01 -0.749102D-01
               231           232           233           234           235 
      1  -0.314879D-01 -0.802540D+00  0.331358D+00 -0.151884D+00 -0.123754D+01
      2  -0.749102D-01  0.331358D+00 -0.741964D+00  0.108228D+01  0.105785D+01
      3   0.311622D+00 -0.151884D+00  0.108228D+01 -0.971565D+00  0.113634D+01
               236           237           238           239           240 
      1   0.105785D+01  0.113634D+01  0.494365D+00 -0.432463D+00  0.773872D-01
      2  -0.710878D+00 -0.331998D+00 -0.432463D+00  0.424172D+00  0.811525D+00
      3  -0.331998D+00 -0.181396D+01  0.773872D-01  0.811525D+00  0.996583D+00
               241           242           243           244           245 
      1   0.164173D+01 -0.817183D+00 -0.218653D+01 -0.488543D+01  0.366746D+01
      2  -0.817183D+00  0.208807D+01  0.215203D+01  0.366746D+01 -0.358477D+01
      3  -0.218653D+01  0.215203D+01  0.762530D+01 -0.967970D+00  0.551774D+00
               246           247           248           249           250 
      1  -0.967970D+00  0.269943D+01 -0.270829D+01  0.658697D+00 -0.231960D+01
      2   0.551774D+00 -0.270829D+01  0.387751D+01 -0.118580D+01  0.169424D+01
      3  -0.678656D+00  0.658697D+00 -0.118580D+01  0.661471D+00 -0.174879D+01
               251           252           253           254           255 
      1   0.169424D+01 -0.174879D+01  0.305047D+01  0.188778D+01 -0.501889D+00
      2  -0.262496D+01  0.148864D+01  0.188778D+01  0.855171D+00 -0.600253D-03
      3   0.148864D+01 -0.137050D+01 -0.501889D+00 -0.600253D-03  0.402719D+00
               256           257           258           259           260 
      1  -0.126470D+00 -0.230875D+01 -0.116374D+00 -0.285139D+00  0.191349D+00
      2  -0.230875D+01 -0.427759D+01  0.301960D+00  0.191349D+00  0.362270D+00
      3  -0.116374D+00  0.301960D+00 -0.335596D+00  0.794559D+00 -0.852119D+00
               261           262           263           264           265 
      1   0.794559D+00 -0.214479D+01 -0.440920D+01  0.369009D+00 -0.624219D+01
      2  -0.852119D+00 -0.440920D+01  0.187933D+00  0.164343D+00 -0.994089D+00
      3   0.380140D+00  0.369009D+00  0.164343D+00  0.408494D+00  0.175678D+00
               266           267           268           269           270 
      1  -0.994089D+00  0.175678D+00  0.683937D+00  0.269273D+00 -0.111948D+01
      2   0.278013D+01  0.450470D+00  0.269273D+00  0.583490D+00  0.468782D+01
      3   0.450470D+00  0.410865D+01 -0.111948D+01  0.468782D+01 -0.119199D+01
               271           272           273           274           275 
      1   0.128264D+01  0.229870D+01 -0.266109D+00  0.742152D+01  0.335619D+01
      2   0.229870D+01  0.121062D+01  0.739080D-02  0.335619D+01  0.989182D+01
      3  -0.266109D+00  0.739080D-02  0.143554D+00  0.815493D-01 -0.506990D+00
               276           277           278           279           280 
      1   0.815493D-01 -0.672857D+00 -0.765160D-01  0.854366D+00  0.957987D+00
      2  -0.506990D+00 -0.765160D-01 -0.645994D+00  0.259994D+01 -0.140680D+00
      3   0.165667D+01  0.854366D+00  0.259994D+01 -0.121932D+01  0.914636D+00
               281           282           283           284           285 
      1  -0.140680D+00  0.914636D+00 -0.134373D+01  0.133190D+01 -0.593881D+00
      2  -0.308864D-01 -0.762241D-01  0.133190D+01 -0.352523D+01  0.191549D+01
      3  -0.762241D-01  0.367183D-01 -0.593881D+00  0.191549D+01 -0.259215D+01
               286           287           288           289           290 
      1   0.258076D+01 -0.111872D+01  0.157204D+01  0.931247D+01  0.189058D+01
      2  -0.111872D+01  0.259000D+01 -0.299631D+01  0.189058D+01  0.138466D+01
      3   0.157204D+01 -0.299631D+01  0.514438D+01 -0.240642D+00 -0.334332D-01
               291           292           293           294           295 
      1  -0.240642D+00  0.429560D+01  0.162926D+01 -0.516645D-01 -0.560677D+00
      2  -0.334332D-01  0.162926D+01  0.141248D+01 -0.135999D+00 -0.696983D-01
      3   0.106962D+01 -0.516645D-01 -0.135999D+00  0.328688D+00  0.134462D+01
               296           297           298           299           300 
      1  -0.696983D-01  0.134462D+01  0.806439D+00 -0.220129D+00 -0.817900D+00
      2  -0.182131D+00 -0.113728D+00 -0.220129D+00 -0.135398D+00  0.194717D-01
      3  -0.113728D+00 -0.187615D-01 -0.817900D+00  0.194717D-01 -0.191396D-01
               301           302           303           304           305 
      1  -0.163016D+01  0.148203D+01  0.427973D+00 -0.231854D+01  0.958979D+00
      2   0.148203D+01 -0.457778D+01 -0.211180D+01  0.958979D+00 -0.287701D+01
      3   0.427973D+00 -0.211180D+01 -0.262869D+01  0.111871D+01 -0.285420D+01
               306 
      1   0.111871D+01
      2  -0.285420D+01
      3  -0.364086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.299526D+01 -0.127800D+01 -0.728963D+01 -0.161913D+01  0.102326D+02
      2   0.179549D+01  0.861252D+01  0.159798D+02  0.538167D+01  0.236996D+01
      3  -0.575383D+00 -0.627027D+01 -0.645049D+01 -0.184484D+01 -0.773756D+01
                 6             7             8             9            10 
      1   0.253914D+01 -0.682406D+01  0.874255D+01 -0.997941D+01 -0.111418D+01
      2  -0.365674D+01  0.550701D+01 -0.118925D+01 -0.162355D+02  0.185904D+01
      3  -0.475217D+00 -0.345404D+01 -0.314452D+00  0.811081D+01  0.846677D+01
                11            12            13            14            15 
      1  -0.498111D+01  0.562175D+01 -0.515970D+01 -0.839415D+01 -0.100986D+02
      2  -0.552528D+00  0.276167D+01 -0.276189D+00  0.209621D+01  0.196941D+01
      3  -0.140298D+02  0.137655D+01 -0.743876D+01  0.193427D+00  0.295715D+01
                16            17            18            19            20 
      1   0.408261D+01 -0.247292D+01  0.718987D+01  0.829869D+01 -0.749532D+00
      2  -0.158390D+01  0.733754D+00  0.146743D+01  0.138412D+00 -0.930346D+01
      3  -0.216224D-01  0.232532D+01 -0.502002D+01 -0.632694D+01 -0.562760D+01
                21            22            23            24            25 
      1   0.429796D+01  0.689687D+00 -0.897724D+01 -0.786059D+01  0.109763D+01
      2   0.126648D+02 -0.811616D+01  0.490011D+00 -0.872980D+01 -0.864117D+01
      3   0.831309D+00  0.185818D+01  0.687263D+01 -0.545841D+00 -0.128561D+01
                26            27            28            29            30 
      1   0.506946D+00  0.988372D+01 -0.822705D+01  0.184638D-01  0.418754D+01
      2  -0.865568D+00  0.254437D+02  0.348500D+01  0.427349D+01  0.371586D+01
      3   0.258199D+00 -0.295805D+00  0.221700D+01  0.181353D+01  0.410836D+01
                31            32            33            34            35 
      1  -0.122503D-01  0.982247D+01 -0.731174D+01  0.547856D+01 -0.694363D+00
      2   0.855447D+01 -0.264499D+01  0.395933D+01 -0.310180D+01  0.127006D+01
      3   0.868309D+01  0.261485D+01 -0.647237D+00  0.350930D+01 -0.368733D+00
                36            37            38            39            40 
      1  -0.271051D+01  0.111568D+01  0.101238D+01 -0.198823D+01 -0.663351D+00
      2  -0.117138D+02  0.419555D+01 -0.281870D+01  0.244031D+01 -0.519333D+01
      3  -0.518421D+01 -0.187563D+01  0.339776D+01  0.977142D+00  0.593916D+01
                41            42            43            44            45 
      1   0.145453D+01 -0.246020D+01 -0.448646D+01  0.156969D+01 -0.435255D+01
      2  -0.825642D+00 -0.415103D+01 -0.492614D+01 -0.198061D+01  0.750924D+00
      3   0.987267D+00  0.742306D+00 -0.665854D+00 -0.898709D-01  0.103390D+01
                46            47            48            49            50 
      1  -0.282467D+01  0.488576D+00  0.255354D+00  0.165357D+01  0.411497D+01
      2  -0.119420D+01  0.359664D+01  0.309629D+01  0.403351D+01 -0.292105D+01
      3  -0.294844D+01  0.606818D+00 -0.129829D+01  0.824334D+01 -0.160196D+01
                51            52            53            54            55 
      1   0.146703D+01  0.366423D+00  0.987122D+01  0.120582D+01  0.223922D+01
      2  -0.152786D+01 -0.877872D+01 -0.726249D+00  0.296704D+01 -0.104079D+02
      3   0.154797D+01 -0.183391D+01  0.380905D+01  0.149948D+01  0.695661D+01
                56            57            58            59            60 
      1   0.457738D+01 -0.141472D+01  0.302327D+01  0.239447D+01 -0.105691D+01
      2  -0.335542D+01 -0.771724D+00 -0.355646D+01 -0.291958D+01  0.814585D+00
      3  -0.158264D+01  0.190670D+01  0.225843D+01 -0.815946D+00  0.382035D-01
                61            62            63            64            65 
      1  -0.243408D+00  0.981317D+00  0.435444D+00 -0.101905D+01 -0.256897D+01
      2  -0.202087D+01 -0.536408D+00  0.215662D+01  0.934391D+01 -0.423671D+01
      3   0.167925D+01 -0.630719D+00  0.385601D+00 -0.633030D+01  0.225448D+01
                66            67            68            69            70 
      1   0.408919D+01 -0.413055D+00 -0.357442D+00 -0.211990D+00  0.272972D+01
      2  -0.102114D+02 -0.115923D+01  0.255369D+01  0.669224D+01 -0.841094D+01
      3   0.575070D+01  0.360340D+01 -0.230542D+01 -0.235527D+01  0.478019D+01
                71            72            73            74            75 
      1   0.252365D+01 -0.452103D+01  0.132821D+01  0.384948D+00  0.367387D+01
      2   0.365095D+01  0.156471D+02  0.445368D+00 -0.339470D+00  0.123791D+01
      3  -0.274043D+01 -0.676096D+01 -0.189442D+02  0.737865D+01 -0.760005D+00
                76            77            78            79            80 
      1  -0.683881D-01  0.125753D+01 -0.207434D+01  0.162756D+01  0.183957D+00
      2  -0.365105D+00  0.747927D-01 -0.805764D+00 -0.172111D+01  0.289398D+00
      3   0.823034D+01 -0.683835D+01 -0.245989D+00 -0.276207D-01 -0.660985D+00
                81            82            83            84            85 
      1  -0.322461D+00  0.227971D+01  0.212653D+01 -0.490437D+01  0.201265D+01
      2   0.391332D-01 -0.203175D-01 -0.794859D+00  0.294128D+01  0.149409D+00
      3  -0.198166D+01  0.642360D+01  0.167012D+01 -0.179222D+01  0.484019D+01
                86            87            88            89            90 
      1   0.411943D+01 -0.466413D+01 -0.255130D+01 -0.120927D+01  0.435324D+01
      2  -0.103397D+01  0.205311D+01 -0.784573D+00  0.139845D+01 -0.198210D+01
      3   0.302450D-01 -0.607406D+00 -0.248932D+01 -0.532405D-01  0.123135D+01
                91            92            93            94            95 
      1   0.161668D+01  0.124196D+00  0.602872D-01  0.493808D+00  0.822183D+00
      2   0.718763D+00 -0.105003D-01  0.564662D+01 -0.183389D+01  0.574925D+01
      3   0.139515D+02 -0.335467D+01 -0.784893D+00  0.839727D+01 -0.100602D+02
                96            97            98            99           100 
      1  -0.400174D+01  0.126834D+01  0.277541D+01 -0.616055D+01 -0.293491D+01
      2   0.270081D+01  0.275079D+01  0.278878D+00 -0.198465D+02 -0.592157D+01
      3  -0.617353D+01  0.829133D+00 -0.579190D+01 -0.164450D+01 -0.875730D-01
               101           102           103           104           105 
      1   0.377317D+01 -0.158952D+01  0.230950D+01 -0.385652D+01  0.229532D+01
      2   0.393271D+01 -0.525460D+01  0.434158D+01 -0.388157D+00  0.221379D+01
      3  -0.245413D+01 -0.986118D+00  0.695821D+00  0.276842D+01 -0.217126D+01
               106           107           108           109           110 
      1  -0.821859D+00  0.523509D+01 -0.196123D+01 -0.187454D+01 -0.574544D+00
      2  -0.331999D+01 -0.193512D+00 -0.553639D-01 -0.735023D+00  0.210501D+01
      3  -0.804309D+00 -0.293630D+01  0.125045D+01  0.557828D+00  0.801787D+00
               111           112           113           114           115 
      1  -0.804587D+00 -0.128655D+01 -0.129087D+02 -0.142718D+01  0.827468D-01
      2  -0.156952D+01  0.270053D+01  0.280188D+01 -0.269137D+00 -0.307672D+00
      3  -0.737226D+00  0.539583D+01 -0.158860D+01 -0.246245D+00 -0.217065D+00
               116           117           118           119           120 
      1   0.663790D+00 -0.288982D+00  0.382323D+01 -0.200491D+01 -0.434031D+01
      2  -0.110232D+01  0.448228D+01  0.708551D+01  0.240958D+00 -0.496992D+01
      3  -0.580829D+00  0.120569D+01  0.435397D+01 -0.218997D+01 -0.428733D+01
               121           122           123           124           125 
      1  -0.208695D+01  0.207950D+01  0.247931D+01 -0.289747D+01  0.431760D+01
      2  -0.486852D+01  0.170538D+01 -0.191275D+01 -0.528998D+01 -0.716779D+00
      3  -0.995535D+00  0.182385D+01  0.905196D+00 -0.321231D+01  0.159121D+01
               126           127           128           129           130 
      1   0.641599D+01  0.677920D+00 -0.470748D-01 -0.725374D+00 -0.484792D-01
      2   0.451611D+01  0.160485D+00  0.378463D-01  0.722578D+00 -0.143716D+01
      3   0.434850D+01  0.136028D+01  0.781714D+00  0.580612D+00  0.571963D+01
               131           132           133           134           135 
      1   0.645513D+00 -0.248707D+01  0.435313D+00  0.100377D+01 -0.216460D+01
      2   0.201275D+01  0.164076D+01 -0.339944D+01  0.130298D+01  0.204466D+01
      3  -0.207447D+01 -0.109164D+01  0.195117D+01 -0.104273D+01 -0.343379D+00
               136           137           138           139           140 
      1  -0.510393D+00  0.180023D+00 -0.262741D+00  0.146632D+00 -0.155889D+01
      2  -0.964645D+00 -0.868870D+00  0.731457D+01  0.192310D+01  0.490838D+00
      3   0.126533D+02 -0.866056D+01  0.162220D+01  0.114203D+02  0.530039D+01
               141           142           143           144           145 
      1  -0.340808D+01  0.933156D+00  0.135903D+01  0.278227D+00  0.104813D+02
      2  -0.148313D+01 -0.713901D+01 -0.238090D+01  0.372507D+00  0.297319D+01
      3  -0.644459D+00 -0.365075D-01  0.280564D+00  0.171479D+01  0.319193D+01
               146           147           148           149           150 
      1  -0.686174D+00  0.428132D+00 -0.658778D+00 -0.796749D+01 -0.187057D+02
      2  -0.142990D+02  0.179491D+02 -0.133524D+02  0.281907D+01  0.636457D+00
      3  -0.680280D+01  0.434454D+01 -0.251034D+01 -0.314129D+00 -0.203255D+01
               151           152           153           154           155 
      1  -0.470014D+00 -0.100205D+02 -0.356061D+01 -0.789368D+00 -0.938076D-01
      2   0.661363D+01  0.150315D+01 -0.243157D+01 -0.763769D+01  0.305110D+01
      3   0.248120D+01 -0.208223D+01 -0.121949D+01 -0.158181D+02  0.134353D+01
               156           157           158           159           160 
      1   0.129706D+01  0.818100D+00  0.300812D+01 -0.975514D+00  0.144527D+01
      2  -0.826752D+01  0.528082D+01 -0.101834D+02  0.353200D+01 -0.229331D+02
      3  -0.237068D+01  0.100862D+02  0.195457D+02  0.939974D+01 -0.397983D+01
               161           162           163           164           165 
      1   0.328182D+01 -0.148672D+01 -0.854095D+01  0.236804D+01 -0.617425D+01
      2   0.265399D+01  0.170172D+02 -0.283633D+01  0.684086D+01 -0.292651D+01
      3   0.970874D+01 -0.313469D+01 -0.131317D+02 -0.165186D+02  0.137328D+01
               166           167           168           169           170 
      1   0.239492D+01 -0.655738D+01  0.152196D+01 -0.927277D+01  0.103429D+02
      2   0.682584D+01 -0.631320D+01  0.258591D+01 -0.124238D+02  0.579518D+01
      3  -0.107316D+02  0.334302D+01  0.421072D+01  0.167542D+01  0.449102D+01
               171           172           173           174           175 
      1   0.135037D+02 -0.523821D+01  0.558646D+01 -0.774817D+00  0.405167D+01
      2   0.684485D+01 -0.167385D+02  0.833436D+01 -0.875406D+01  0.902465D+01
      3   0.228110D+01 -0.726747D+01  0.186303D+01 -0.354249D+01  0.515261D+01
               176           177           178           179           180 
      1  -0.481381D+01  0.206477D+01 -0.993010D+00  0.340535D+01 -0.128850D+01
      2  -0.616579D+01  0.378082D+01 -0.720609D+01  0.324967D+01 -0.578410D+01
      3  -0.212256D+01  0.225769D+01 -0.225550D+01  0.706755D+00 -0.221872D+01
               181           182           183           184           185 
      1  -0.454885D+01 -0.531666D+01  0.141375D+00 -0.364877D+01 -0.437107D+01
      2   0.119147D+02  0.516660D+01 -0.141727D+01  0.702716D+01  0.277620D+01
      3   0.329416D+01 -0.115732D+01 -0.681418D+00  0.242060D+01 -0.103345D+01
               186           187           188           189           190 
      1   0.196574D+01  0.790876D+00  0.354770D+01 -0.112960D+01  0.154231D+01
      2  -0.244922D+00 -0.470674D+01 -0.142900D+01  0.203249D+01 -0.780590D+00
      3   0.663909D+00 -0.102282D+01  0.801893D+00  0.652027D+00  0.197884D+00
               191           192           193           194           195 
      1  -0.110480D+00  0.614704D+00 -0.247284D+00  0.166581D+02  0.843517D+01
      2  -0.988808D+00 -0.195479D+01 -0.373288D+01 -0.124306D+01 -0.307764D+01
      3  -0.516601D+00 -0.545779D+00  0.176801D+01  0.201126D+01  0.152914D+01
               196           197           198           199           200 
      1   0.333527D+00  0.932473D+01  0.890818D+01 -0.702278D+00 -0.638589D-01
      2  -0.359027D+01 -0.180330D+01 -0.211784D+01  0.195016D+01  0.654739D+00
      3   0.316521D+00  0.122396D+01  0.140111D+01 -0.367725D+01 -0.311706D+01
               201           202           203           204           205 
      1  -0.547365D+00 -0.183745D+00 -0.292755D+01 -0.389515D+01  0.752949D-01
      2   0.135554D+01 -0.630407D+00  0.572128D+01  0.406834D+01  0.178256D+01
      3   0.175950D+00 -0.141022D+01 -0.260831D+02 -0.585781D+01  0.775756D+00
               206           207           208           209           210 
      1  -0.493713D+00 -0.391240D+00 -0.145565D+00  0.678834D+00 -0.197582D+00
      2   0.321762D+01  0.364297D+01  0.873553D+01 -0.208594D+01  0.677709D+01
      3  -0.583393D+01 -0.302572D+01  0.859484D+01 -0.736130D+01  0.240150D+01
               211           212           213           214           215 
      1  -0.252151D+00 -0.584389D+00 -0.100798D+01 -0.198416D+00  0.109374D+01
      2  -0.387577D+01  0.399723D+01 -0.492991D+01  0.855833D+01 -0.324820D+01
      3  -0.565376D+01  0.621847D+01 -0.362441D+01  0.370636D+01 -0.591289D+01
               216           217           218           219           220 
      1   0.464517D+00  0.701297D+00 -0.830115D+00 -0.484047D+00 -0.162305D+00
      2   0.710479D+01 -0.466835D+01 -0.103145D+01  0.930765D+01 -0.775015D+00
      3   0.339306D+01  0.179505D+01 -0.246662D+01  0.259234D+00 -0.162894D+01
               221           222           223           224           225 
      1   0.183571D+00 -0.588736D+00 -0.727975D+00  0.303880D+01  0.192509D+01
      2  -0.206927D+01 -0.150487D+01  0.893228D+01  0.563432D-01 -0.267683D+02
      3  -0.981608D+00  0.206205D+01  0.474978D+00  0.456001D+01  0.256667D+00
               226           227           228           229           230 
      1   0.358847D+01  0.139664D+01 -0.309118D+01  0.180401D+01  0.275265D+01
      2  -0.287849D+01 -0.240076D+01  0.111578D+01 -0.170187D+01 -0.132845D+01
      3   0.189946D+02  0.959824D+01 -0.124481D+01  0.119994D+02  0.107257D+02
               231           232           233           234           235 
      1  -0.288514D+01 -0.132341D+01 -0.114987D+01  0.616338D+00 -0.203546D+01
      2   0.412847D+00 -0.839397D-01 -0.216761D+01  0.213162D+01 -0.126406D+01
      3  -0.408689D+00 -0.175986D+01 -0.117419D+01  0.313901D+01  0.590084D-01
               236           237           238           239           240 
      1  -0.954550D-01  0.363527D+01  0.234850D+00 -0.218921D+01 -0.152330D+01
      2   0.195638D+00  0.397499D+01 -0.574156D+00 -0.160839D+01 -0.174020D+01
      3  -0.434859D+00  0.164928D+01  0.100772D+01 -0.110706D+00  0.132467D+01
               241           242           243           244           245 
      1   0.442022D+01  0.161478D+00 -0.184260D+02  0.560738D+01 -0.365566D+01
      2   0.572244D+00 -0.390288D+01 -0.162877D+02  0.458856D+01 -0.346689D+01
      3   0.264728D+01  0.389444D+01  0.170343D+00 -0.407562D+01 -0.202483D+01
               246           247           248           249           250 
      1   0.496916D+01 -0.355126D+01  0.504607D+01 -0.416977D+01  0.459076D+01
      2   0.418047D+01 -0.302220D+01  0.432717D+01 -0.286174D+01  0.399937D+01
      3  -0.177555D+01  0.243819D+01  0.297032D+01 -0.848681D+00 -0.241301D+01
               251           252           253           254           255 
      1  -0.331218D+01  0.380923D+01 -0.162553D+00 -0.356489D+00 -0.144558D+01
      2  -0.403176D+01  0.469545D+01 -0.255396D+01 -0.101580D+01 -0.107402D+02
      3  -0.323879D+01 -0.268610D+00 -0.106000D+02  0.125277D+01  0.753265D+00
               256           257           258           259           260 
      1   0.367762D+00  0.129917D+01  0.663207D+01 -0.180772D+00  0.929991D+01
      2  -0.205196D+01  0.207281D+01 -0.659629D+01 -0.200690D+02 -0.966481D+00
      3   0.441462D+01  0.198312D+02 -0.163673D+01  0.204124D+01 -0.214494D+01
               261           262           263           264           265 
      1  -0.160638D+01 -0.220404D+00  0.466285D+00  0.170271D+01  0.468526D-01
      2   0.161870D+01  0.163327D+01  0.157788D+01  0.596484D+01  0.193792D+01
      3   0.291726D+01  0.216107D+02 -0.115310D+01 -0.116187D+01  0.134232D+02
               266           267           268           269           270 
      1   0.861530D+00  0.201141D+01 -0.314372D+01  0.766804D+01 -0.673683D+00
      2   0.207045D+01  0.179632D+02 -0.852129D+01  0.225055D+02 -0.505603D+01
      3  -0.114605D+02 -0.214685D+01 -0.154793D+01 -0.303166D+01 -0.207756D+02
               271           272           273           274           275 
      1   0.716661D+00  0.429208D+00  0.996375D+00  0.164345D+00  0.135978D+00
      2  -0.118815D+01 -0.131855D+00  0.662500D+01  0.463305D+00 -0.248073D+01
      3  -0.845999D+01 -0.677919D+01 -0.415503D+00  0.166046D+01 -0.362067D+02
               276           277           278           279           280 
      1  -0.922416D+01  0.396742D+00  0.381797D+00  0.132663D+01  0.610608D+00
      2   0.101224D+02  0.512900D+01  0.709687D+01 -0.178731D+01  0.394027D+01
      3   0.206154D+01 -0.946159D+00  0.234368D+01 -0.747874D+01  0.377597D+00
               281           282           283           284           285 
      1  -0.121004D+00 -0.287342D-01 -0.603990D+00  0.927159D+00 -0.347572D+01
      2  -0.342653D+00  0.823587D+00 -0.202014D+01  0.869831D+01 -0.117479D+02
      3  -0.509159D+00 -0.478286D+00 -0.311104D+01  0.142481D+02 -0.801675D+01
               286           287           288           289           290 
      1   0.110480D+01 -0.816525D+00  0.488069D+01 -0.102546D+00 -0.110028D-01
      2   0.427410D+01 -0.131501D+02  0.220232D+02 -0.192546D+01 -0.554634D+00
      3   0.164089D+01 -0.106158D+02  0.123063D+02 -0.146867D+02 -0.996249D+01
               291           292           293           294           295 
      1   0.357986D+00  0.683924D-01 -0.370572D-01 -0.834916D+00  0.812374D+00
      2   0.715411D+01 -0.699919D+00 -0.764196D+00  0.183650D+01  0.451942D+01
      3   0.515711D+00 -0.831106D+01 -0.806042D+01  0.643225D+00  0.691143D+00
               296           297           298           299           300 
      1   0.477491D+00 -0.447678D-01 -0.641144D+00 -0.662968D-01 -0.265709D+00
      2  -0.515967D+00 -0.476305D+00 -0.363046D+01 -0.247174D+00  0.174741D+00
      3   0.102178D+01 -0.134998D+00  0.792223D+00  0.236464D+00  0.915936D+00
               301           302           303           304           305 
      1   0.768586D+00 -0.208949D+01 -0.415024D+01  0.101911D+01 -0.161372D+01
      2   0.159883D+01 -0.993742D+01 -0.117428D+02  0.347831D+01 -0.130474D+02
      3  -0.317741D+01  0.188624D+02  0.905349D+01 -0.122656D+01  0.122280D+02
               306 
      1  -0.435711D+01
      2  -0.160768D+02
      3   0.121897D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.155309D+01 -0.116868D+02 -0.192444D+02 -0.759027D+01 -0.109578D+02
      2   0.857801D+01  0.361439D+01 -0.301488D+01  0.462338D+01  0.103653D+02
      3  -0.702492D+01  0.807244D+01  0.222593D+02  0.296688D+01  0.592526D+00
      4  -0.166768D+02 -0.111836D+02 -0.129497D+02 -0.888531D+01  0.528594D+01
      5  -0.195220D+02 -0.146257D+02 -0.144884D+02 -0.141527D+02  0.325963D+00
      6  -0.222279D+02 -0.790945D+01  0.739216D+01 -0.441956D+01  0.736112D+01
                 6             7             8             9            10 
      1   0.332278D+01 -0.119482D+02  0.112569D+01  0.199393D+02  0.938138D+01
      2   0.966744D+01 -0.160376D+01  0.500490D+01 -0.629104D+00 -0.216903D+02
      3  -0.129902D+02  0.135519D+02 -0.613059D+01 -0.193102D+02  0.123089D+02
      4   0.247373D+00 -0.637083D+01 -0.166263D+01  0.438481D+01  0.125391D+01
      5  -0.113189D+02 -0.972736D+01  0.362759D+00 -0.581747D+01  0.468278D+01
      6  -0.346766D+01  0.790773D+01 -0.104710D+02 -0.766550D+00  0.565317D+01
                11            12            13            14            15 
      1  -0.134770D+01  0.139658D+00 -0.259311D+01 -0.580091D+00 -0.511583D+01
      2  -0.199274D+01  0.903411D+01 -0.975232D+00 -0.363869D+01  0.124382D+02
      3   0.334044D+01 -0.917377D+01  0.356834D+01  0.421878D+01 -0.732232D+01
      4  -0.178919D+02  0.668576D+01 -0.129204D+02 -0.274744D+01  0.104555D+02
      5   0.537525D+01 -0.366724D+01  0.427726D+01  0.806462D+01  0.341210D+01
      6   0.827653D+01 -0.664579D+01  0.652160D+01  0.101883D+02  0.213422D+01
                16            17            18            19            20 
      1  -0.265473D+01 -0.572348D+01 -0.555648D+01 -0.505644D+01  0.951811D+01
      2   0.823626D+01  0.151370D+02  0.868311D+01 -0.570119D+01 -0.985572D+00
      3  -0.558152D+01 -0.941352D+01 -0.312663D+01  0.107576D+02 -0.853254D+01
      4   0.336424D+01  0.110388D+02 -0.472916D+01  0.536195D+01 -0.594473D+00
      5  -0.245166D+01 -0.814337D+00 -0.532886D+00  0.158312D+02 -0.204046D+01
      6  -0.603916D+01  0.223396D+01 -0.574028D+01  0.416130D+01  0.726543D+01
                21            22            23            24            25 
      1  -0.519681D+01  0.848250D+01  0.204923D+01  0.675290D+01  0.719914D+01
      2  -0.407480D+01 -0.314048D+01 -0.208982D+01 -0.293643D+00  0.179502D+01
      3   0.927161D+01 -0.534203D+01  0.405901D-01 -0.645925D+01 -0.899416D+01
      4  -0.266002D+01 -0.180683D+01 -0.938000D+01 -0.316456D+01  0.348669D+01
      5   0.271697D+02  0.108584D+01 -0.210594D+01 -0.136210D+02 -0.764705D+01
      6  -0.108542D+02  0.200236D+01 -0.130324D+02  0.431232D+01  0.260279D+01
                26            27            28            29            30 
      1   0.122880D+01 -0.262923D+02 -0.116658D+01  0.130228D+01 -0.819901D+01
      2  -0.282306D+01 -0.115689D+01  0.946515D+01 -0.324600D+01 -0.621283D+01
      3   0.159426D+01  0.274492D+02 -0.829858D+01  0.194372D+01  0.144118D+02
      4  -0.295526D+01  0.633347D+01  0.182895D+01  0.118808D+01  0.371832D+00
      5   0.347572D+01  0.237541D+02 -0.198514D+01 -0.354366D+01 -0.104626D+02
      6  -0.187198D+00 -0.617316D+01 -0.706025D+01 -0.416369D+00 -0.182609D+01
                31            32            33            34            35 
      1  -0.255782D+00  0.146223D+02 -0.109892D+01 -0.959705D+01  0.178449D+01
      2  -0.584827D+01 -0.194812D+02  0.722772D+01 -0.392049D+01  0.357150D+01
      3   0.610405D+01  0.485887D+01 -0.612880D+01  0.135175D+02 -0.535599D+01
      4   0.116782D+01  0.142422D+01 -0.123208D+01 -0.629907D+00 -0.925467D+00
      5  -0.154829D+01  0.256321D+01  0.133042D+02 -0.766201D+01  0.354389D+01
      6   0.478484D+00  0.211316D+02 -0.660252D+01 -0.224348D+01 -0.225644D+00
                36            37            38            39            40 
      1   0.848176D-01 -0.322081D+02  0.301448D+01  0.360626D+00  0.121736D+02
      2   0.867947D+01  0.158787D+02 -0.248525D+01 -0.498714D+00 -0.313556D+01
      3  -0.876428D+01  0.163294D+02 -0.529233D+00  0.138088D+00 -0.903804D+01
      4  -0.626002D+00 -0.185173D+01 -0.926757D+01  0.786873D+00 -0.330927D+01
      5  -0.179617D+01  0.165799D+01  0.156859D+01 -0.605272D+01  0.966864D+00
      6  -0.204199D+01  0.381708D+01 -0.785308D+00 -0.166722D+01 -0.124430D+01
                41            42            43            44            45 
      1   0.252125D+01  0.352962D-01  0.367005D+01 -0.302787D+01  0.962833D+01
      2  -0.944008D+00 -0.619409D+00  0.804283D-01  0.135367D+01 -0.198965D+01
      3  -0.157724D+01  0.584113D+00 -0.375048D+01  0.167420D+01 -0.763868D+01
      4   0.849051D-01 -0.502099D+00  0.155141D+01 -0.101487D+00 -0.156481D+00
      5  -0.357700D+00 -0.860980D+01 -0.421808D+01 -0.127567D+01 -0.517958D+01
      6  -0.627456D+01 -0.559989D+01  0.933392D+00 -0.636964D+01  0.946821D+00
                46            47            48            49            50 
      1  -0.190060D+02  0.842822D+01 -0.539656D+01  0.137470D+02 -0.652320D+01
      2   0.233858D+01  0.674524D+00 -0.259513D+01 -0.518292D+01 -0.599357D+01
      3   0.166674D+02 -0.910274D+01  0.799169D+01 -0.856411D+01  0.125168D+02
      4   0.109281D+02 -0.134955D+01 -0.353705D+01 -0.284066D+00  0.116315D+00
      5  -0.724531D+00 -0.768714D+01  0.113630D+02 -0.611285D+01 -0.390780D+01
      6  -0.102529D+02  0.197954D+01 -0.252493D+01  0.168512D+01 -0.693059D+01
                51            52            53            54            55 
      1   0.676208D+01 -0.773817D+01  0.843373D+01 -0.184386D+01  0.208107D+02
      2  -0.836037D+01  0.111967D+01 -0.124096D+02 -0.125013D+01 -0.125057D+02
      3   0.159829D+01  0.661851D+01  0.397584D+01  0.309399D+01 -0.830494D+01
      4  -0.629172D+01  0.113688D+01 -0.962968D+01  0.258894D+00  0.264765D+02
      5  -0.379945D+01  0.355355D+01 -0.279301D+01  0.964191D+01  0.294610D+02
      6   0.720083D+01 -0.541401D+00  0.250238D+01  0.178012D+01  0.179732D+02
                56            57            58            59            60 
      1   0.414770D+01  0.545312D+01  0.369037D+01  0.124901D+01 -0.160121D+01
      2   0.415339D+00 -0.627419D+01  0.107913D+01  0.416453D+01 -0.809772D+00
      3  -0.456303D+01  0.821077D+00 -0.476950D+01 -0.541354D+01  0.241098D+01
      4   0.183874D+02  0.144130D+02  0.161094D+02  0.144866D+02  0.829055D+01
      5   0.155705D+02  0.204499D+02  0.119404D+02  0.108063D+02  0.101495D+02
      6   0.142050D+02  0.127451D+02  0.107094D+02  0.118777D+02  0.101412D+02
                61            62            63            64            65 
      1   0.276569D+01 -0.843528D+00 -0.195336D+01 -0.786117D+01  0.894423D+01
      2  -0.520276D+01 -0.178386D+01 -0.647931D+01 -0.213797D+01 -0.399840D+01
      3   0.243708D+01  0.262739D+01  0.843267D+01  0.999914D+01 -0.494583D+01
      4   0.787028D+01  0.647456D+01  0.758752D+01 -0.280199D+01  0.281061D+01
      5   0.163208D+02  0.711427D+01  0.169471D+02 -0.609548D+01  0.448100D+01
      6   0.711039D+01  0.961818D+01  0.949813D+01  0.109584D+02 -0.905370D+01
                66            67            68            69            70 
      1   0.179576D+02  0.343735D+01 -0.761839D+01 -0.112772D+02  0.102897D+02
      2   0.454021D+01 -0.397836D+01  0.415984D+01 -0.126917D+01  0.135927D+01
      3  -0.224979D+02  0.541016D+00  0.345855D+01  0.125464D+02 -0.116490D+02
      4   0.583334D+01  0.210993D+01 -0.386932D+00 -0.249428D+01  0.347695D+01
      5   0.567025D+01  0.642962D+01 -0.434091D+01  0.966619D+01  0.912288D+01
      6  -0.134952D+02 -0.637306D+01  0.101886D+02  0.926560D+01 -0.887542D+01
                71            72            73            74            75 
      1  -0.104186D+02 -0.309740D+02 -0.332108D+01  0.105369D+02  0.923754D+00
      2   0.108097D+01 -0.120703D+02  0.144127D+02 -0.189075D+02 -0.909238D+00
      3   0.933763D+01  0.430443D+02 -0.110917D+02  0.837061D+01 -0.145164D-01
      4   0.779312D+00 -0.360490D+01 -0.158815D+02  0.115663D+02 -0.136235D+01
      5  -0.140834D+01  0.504870D+01 -0.226223D+01  0.587598D+00  0.146810D+01
      6   0.161531D+02  0.217518D+02 -0.315983D+00 -0.189502D+01 -0.468691D+01
                76            77            78            79            80 
      1   0.598278D+01 -0.105315D+02 -0.178319D+00  0.537623D+00  0.119451D+00
      2  -0.126271D+02  0.212456D+02 -0.180864D+01 -0.118697D+01 -0.100664D+01
      3   0.664430D+01 -0.107141D+02  0.198696D+01  0.649346D+00  0.887188D+00
      4   0.100655D+02 -0.824796D+01 -0.902611D+00 -0.123447D+00 -0.130264D+01
      5   0.644880D+00 -0.183722D+01 -0.268000D-01  0.279556D+01 -0.653661D+00
      6  -0.158517D+01  0.481999D+00  0.354499D+01 -0.381081D+01  0.554953D+01
                81            82            83            84            85 
      1  -0.230588D+01  0.371200D+01 -0.336836D+01 -0.893155D+00 -0.184341D+01
      2   0.148117D+01  0.829127D+01  0.157526D+02 -0.425761D+01  0.104312D+02
      3   0.824712D+00 -0.120033D+02 -0.123843D+02  0.515076D+01 -0.858784D+01
      4  -0.183447D+01  0.149392D+02  0.192687D+02 -0.684437D+01  0.149796D+02
      5   0.716534D+00 -0.386241D+01 -0.430939D+01  0.679959D+01 -0.249824D+01
      6   0.106979D+01 -0.494614D+01 -0.504794D+01  0.615357D+01 -0.395724D+01
                86            87            88            89            90 
      1  -0.120311D+02  0.354121D+01  0.511986D+00  0.554161D+01 -0.250643D+01
      2   0.315462D+02 -0.909015D+01 -0.327490D+01 -0.122055D+02  0.505468D+01
      3  -0.195150D+02  0.554894D+01  0.276292D+01  0.666393D+01 -0.254825D+01
      4   0.224015D+02 -0.730711D+01 -0.574764D+01 -0.865767D+01  0.761638D+01
      5  -0.575327D+01  0.423353D+01  0.394682D+01  0.498275D+01 -0.649742D+01
      6  -0.945238D+01  0.718401D+01  0.566867D+01  0.933913D+01 -0.673335D+01
                91            92            93            94            95 
      1  -0.955987D+00 -0.289458D+02  0.137553D+02 -0.330855D+02  0.106949D+02
      2   0.117557D+02  0.100340D+02  0.429596D+01  0.138393D+02 -0.759584D+01
      3  -0.107997D+02  0.189118D+02 -0.180513D+02  0.192462D+02 -0.309904D+01
      4  -0.247415D+02  0.672407D+01  0.270667D+01  0.465191D+01  0.139622D+02
      5  -0.335405D+01  0.600144D+01 -0.536780D+01  0.284511D+01  0.580509D+01
      6   0.740680D+01 -0.379972D+01  0.758223D+01 -0.246827D+01 -0.494390D+00
                96            97            98            99           100 
      1  -0.562752D+01  0.921627D+01 -0.142292D+01  0.240329D+02  0.121280D+02
      2  -0.647622D+01  0.395635D+00 -0.707996D+01 -0.860061D+00 -0.988482D+01
      3   0.121037D+02 -0.961190D+01  0.850287D+01 -0.231729D+02 -0.224315D+01
      4   0.960457D+01 -0.215834D+01  0.113441D+02 -0.258247D+01 -0.923014D+01
      5   0.665195D+01  0.993300D+01  0.136630D+01 -0.352214D+02  0.137677D+02
      6  -0.671071D+01  0.484573D+00 -0.191719D+01  0.126396D+02 -0.524649D+01
               101           102           103           104           105 
      1  -0.505831D+01  0.815629D+01 -0.358164D+01 -0.221940D+01  0.459851D+00
      2   0.163362D+01 -0.476314D+01  0.159066D+01  0.322553D+00 -0.118150D+00
      3   0.342469D+01 -0.339314D+01  0.199097D+01  0.189684D+01 -0.341700D+00
      4   0.765605D+01 -0.322695D+01  0.861637D+01 -0.889412D+01  0.705322D+01
      5  -0.401222D+01  0.427403D+01 -0.577842D+01  0.817048D+01 -0.105800D+01
      6   0.346221D+01  0.112399D+01  0.521451D+01 -0.944228D+01  0.916237D+01
               106           107           108           109           110 
      1   0.228092D+00  0.273908D+01 -0.516719D+01 -0.157282D-01 -0.116422D+01
      2  -0.847511D+01  0.347030D+01 -0.142665D+02  0.357747D+01  0.181743D+01
      3   0.824702D+01 -0.620938D+01  0.194337D+02 -0.356174D+01 -0.653208D+00
      4  -0.528528D+01  0.651401D+01 -0.813979D+01  0.125470D+01  0.546819D+01
      5   0.168793D+02 -0.815706D+01  0.193868D+02 -0.240853D+01 -0.923128D+00
      6  -0.578764D+01  0.103292D+02 -0.105773D+02 -0.239782D+01 -0.203630D+01
               111           112           113           114           115 
      1   0.223295D+01 -0.966007D+00 -0.261938D+02  0.102369D+02  0.175220D+01
      2   0.168071D+01  0.296098D+01  0.365511D+02 -0.712881D+01 -0.990890D+00
      3  -0.391366D+01 -0.199497D+01 -0.103572D+02 -0.310810D+01 -0.761312D+00
      4  -0.161315D+00  0.604455D+01  0.155136D+01 -0.724268D+00 -0.107044D+01
      5  -0.935483D+00 -0.414222D+01 -0.379540D+01 -0.697821D+00  0.588236D+01
      6   0.326733D+01 -0.369739D+01 -0.283489D+02  0.140969D+02  0.247841D+00
               116           117           118           119           120 
      1   0.652772D+01 -0.773713D+01  0.379159D+01 -0.196317D+01  0.744808D+01
      2  -0.171089D+01  0.379123D+00 -0.941324D+01  0.504609D+00  0.113192D+02
      3  -0.481683D+01  0.735800D+01  0.562165D+01  0.145856D+01 -0.187673D+02
      4   0.652933D+00 -0.158407D+01  0.289254D+01  0.708503D+00  0.763771D+00
      5  -0.193483D+01  0.640686D+01 -0.166819D+02  0.433572D+01  0.392969D+01
      6   0.111484D+02 -0.103050D+02  0.190156D+01 -0.412947D+01  0.681928D+01
               121           122           123           124           125 
      1   0.325990D+00 -0.414659D+01 -0.195341D+01  0.361274D+01  0.150388D+00
      2   0.364045D+01  0.578938D+00 -0.337775D+01  0.758173D+01 -0.241975D+01
      3  -0.396644D+01  0.356765D+01  0.533116D+01 -0.111945D+02  0.226936D+01
      4   0.177266D+01 -0.115551D+01  0.247940D+00 -0.202095D+01 -0.928081D+00
      5   0.247002D+01 -0.132192D+01 -0.892595D+01  0.137599D+02 -0.161058D+01
      6  -0.153612D+01 -0.711108D+00  0.674812D+01  0.162726D+01  0.517431D+01
               126           127           128           129           130 
      1  -0.139630D+02  0.729012D+01  0.107577D+01  0.867307D+00  0.363098D+01
      2  -0.152773D+02 -0.261528D+01  0.122726D+00 -0.716931D+00 -0.130035D+01
      3   0.292402D+02 -0.467483D+01 -0.119849D+01 -0.150376D+00 -0.233063D+01
      4   0.104626D+01  0.241123D+01  0.312552D+01  0.175217D+01  0.433311D+01
      5  -0.106459D+02  0.246105D+01  0.124258D+01  0.341770D+01  0.176565D+01
      6  -0.366662D+01  0.272402D+01  0.129122D+01  0.143831D+01  0.169231D+01
               131           132           133           134           135 
      1  -0.839513D+01 -0.436133D+01  0.210228D+01 -0.414586D+01 -0.746780D+01
      2   0.100349D+02  0.453474D+01 -0.143472D+01  0.221376D+01  0.198737D+01
      3  -0.163979D+01 -0.173406D+00 -0.667566D+00  0.193210D+01  0.548042D+01
      4   0.291587D+01  0.265763D+01  0.206449D+01  0.197115D+01  0.277636D+01
      5   0.270952D+01  0.183669D+01  0.317146D+01  0.314056D+01  0.284523D+01
      6   0.873813D+01  0.881512D+01  0.176771D+01  0.721973D+01  0.934492D+01
               136           137           138           139           140 
      1   0.251735D+02 -0.696277D+01  0.441600D+01 -0.238041D+02 -0.258392D+01
      2  -0.126614D+02  0.156195D+01 -0.197365D+01  0.127739D+02  0.462659D+01
      3  -0.125121D+02  0.540082D+01 -0.244235D+01  0.110302D+02 -0.204267D+01
      4  -0.580431D+01  0.169573D+02 -0.115224D+01  0.109119D+02 -0.500015D+01
      5   0.264273D+01 -0.911836D+00  0.146091D+02 -0.181134D+01  0.123170D+01
      6  -0.507983D+00 -0.636348D+00  0.380283D+00  0.194335D+00  0.235114D+00
               141           142           143           144           145 
      1   0.191535D+00  0.298141D+01  0.569227D+00 -0.451317D+01  0.111440D+02
      2   0.429288D+00 -0.947909D+00 -0.266194D+00  0.110947D+01 -0.191625D+01
      3  -0.620824D+00 -0.203350D+01 -0.303032D+00  0.340370D+01 -0.922773D+01
      4   0.139986D+01 -0.955528D+00 -0.218184D+00 -0.235399D+01 -0.770531D+01
      5   0.811637D+00  0.944718D+00 -0.958731D+00  0.357478D+00  0.669206D+01
      6   0.495337D+01  0.110019D+01  0.331964D+01 -0.530065D+00  0.256650D+02
               146           147           148           149           150 
      1  -0.625701D+01  0.384440D+01 -0.655259D+01  0.103990D+02  0.619241D+01
      2   0.408861D+01 -0.499818D+01  0.354208D+01  0.922999D+01  0.798378D+01
      3   0.216840D+01  0.115378D+01  0.301051D+01 -0.196290D+02 -0.141762D+02
      4  -0.890231D+01  0.913641D+01 -0.921748D+01  0.187653D+01  0.590584D+01
      5   0.202089D+02 -0.127653D+02  0.217189D+02  0.458553D+01  0.194611D+01
      6  -0.957304D+00 -0.254462D+01 -0.151410D+01 -0.393866D+01 -0.219935D+02
               151           152           153           154           155 
      1   0.437029D+01  0.307274D+01 -0.601724D+01 -0.306646D+01  0.314877D+02
      2  -0.163303D+01  0.872728D+01 -0.453073D+01  0.942221D+00 -0.149818D+02
      3  -0.273725D+01 -0.118000D+02  0.105480D+02  0.212424D+01 -0.165059D+02
      4   0.627127D+01  0.478832D+01  0.172224D+01  0.300424D+02 -0.353115D+01
      5  -0.144971D+02  0.230921D+01 -0.530985D+01 -0.144694D+02  0.235538D+01
      6   0.564559D-01 -0.161952D+02 -0.108391D+02 -0.233034D+01  0.620867D+00
               156           157           158           159           160 
      1  -0.207222D+02  0.371690D+02 -0.747066D+01  0.783810D+01 -0.229778D+02
      2   0.376798D+01 -0.205906D+02  0.776211D-01 -0.499978D+01  0.607527D+01
      3   0.169542D+02 -0.165784D+02  0.739304D+01 -0.283832D+01  0.169026D+02
      4   0.307170D+01 -0.896986D+01 -0.263640D+02 -0.154764D+02  0.787248D+01
      5  -0.146764D+02  0.846463D+01 -0.146842D+02  0.783825D+01 -0.341871D+02
      6  -0.403233D+01 -0.136025D+01  0.922623D+00  0.424668D+00  0.393400D+00
               161           162           163           164           165 
      1   0.723968D+01 -0.232370D+02  0.838476D+01  0.257633D+02 -0.962653D+01
      2  -0.464518D+01  0.216348D+02 -0.235876D+02 -0.112311D+02 -0.529573D+01
      3  -0.259450D+01  0.160215D+01  0.152028D+02 -0.145322D+02  0.149223D+02
      4  -0.158605D+02  0.582018D+01  0.222074D+02 -0.217788D+02  0.923353D+01
      5   0.647094D+01  0.295229D+02 -0.710964D+01  0.120319D+01 -0.536027D+01
      6  -0.396724D-01  0.390027D+01  0.348434D+01 -0.616356D+01  0.678130D+01
               166           167           168           169           170 
      1   0.239901D+02 -0.931946D+01 -0.141462D+01 -0.998757D+01  0.628254D+00
      2  -0.122554D+02  0.804631D+01  0.919410D+01 -0.317489D+01  0.121493D+02
      3  -0.117347D+02  0.127315D+01 -0.777948D+01  0.131625D+02 -0.127776D+02
      4  -0.185894D+02 -0.646307D+01 -0.150192D+02  0.141821D+02 -0.185829D+02
      5   0.305948D+01 -0.126328D+02  0.489379D+01 -0.173752D+02  0.111297D+02
      6  -0.612271D+01  0.131053D+02 -0.170083D+01  0.135701D+02 -0.631435D+01
               171           172           173           174           175 
      1  -0.328661D+00 -0.539549D+01  0.726830D+01 -0.101611D+02  0.606001D+01
      2   0.154858D+02 -0.126274D+00 -0.476028D+01 -0.148456D+01 -0.406436D+01
      3  -0.151571D+02  0.552177D+01 -0.250802D+01  0.116456D+02 -0.199566D+01
      4   0.161521D+02 -0.670939D+01  0.528096D+01 -0.322055D+01  0.615680D+01
      5   0.140572D+02  0.164811D+02 -0.851314D+01  0.668548D+01 -0.107183D+02
      6  -0.142359D+02 -0.139651D+02  0.117332D+02 -0.863144D+01  0.101687D+02
               176           177           178           179           180 
      1  -0.109282D+02  0.838548D+01 -0.522398D+01  0.498583D+01 -0.872515D+01
      2   0.628471D+01 -0.139757D+01 -0.226516D+01 -0.437351D+00 -0.217898D+01
      3   0.464344D+01 -0.698791D+01  0.748914D+01 -0.454848D+01  0.109041D+02
      4  -0.384799D+01  0.936854D+00 -0.238102D+01  0.945984D+00 -0.173737D+01
      5   0.527140D+01 -0.360027D+01  0.768873D+01 -0.279600D+01  0.487352D+01
      6  -0.137972D+02  0.140447D+02 -0.593678D+01  0.892847D+01 -0.745531D+01
               181           182           183           184           185 
      1   0.692995D+01 -0.289853D-01  0.329611D+01  0.830840D+00 -0.524422D+01
      2  -0.761771D+01  0.187968D+00  0.688110D+01 -0.191546D+00  0.298900D+01
      3   0.687757D+00 -0.158983D+00 -0.101772D+02 -0.639294D+00  0.225522D+01
      4   0.138260D+02  0.112778D+02 -0.882926D+01  0.106027D+02  0.999882D+01
      5  -0.236533D+02 -0.143540D+02  0.209342D+02 -0.131242D+02 -0.110595D+02
      6  -0.143053D+02 -0.113049D+02  0.101194D+02 -0.962241D+01 -0.129519D+02
               186           187           188           189           190 
      1   0.528034D+01  0.160193D+01  0.301900D+01 -0.430353D+01 -0.209418D+01
      2   0.401625D+00  0.505466D+01  0.933665D+00 -0.574021D+01 -0.191609D+01
      3  -0.568197D+01 -0.665659D+01 -0.395266D+01  0.100437D+02  0.401027D+01
      4  -0.705383D+01 -0.466301D+01 -0.423439D+01  0.581618D+01 -0.327465D+00
      5   0.102933D+02  0.135613D+02  0.685688D+01 -0.132039D+02 -0.830009D+00
      6   0.133626D+02  0.683864D+01  0.924448D+01 -0.838090D+01  0.772859D+00
               191           192           193           194           195 
      1  -0.632512D+00 -0.236882D+01 -0.991600D+00 -0.921970D+01 -0.142973D+02
      2  -0.433320D+00  0.239472D+00 -0.290620D+00 -0.383836D+01 -0.112921D+02
      3   0.106583D+01  0.212935D+01  0.128222D+01  0.130581D+02  0.255894D+02
      4   0.303591D+01 -0.232897D+00  0.302831D+01 -0.613096D+01 -0.309698D+01
      5   0.151059D+01  0.715094D+01  0.346006D+01 -0.257800D+01 -0.508668D+01
      6   0.909266D+00  0.600188D+00  0.823112D+00  0.214427D+02  0.164257D+02
               196           197           198           199           200 
      1  -0.157318D+01 -0.739008D+01 -0.148523D+02  0.437321D+01  0.530979D+01
      2   0.106259D+00 -0.735863D+01 -0.138566D+02  0.669632D-01 -0.471903D+00
      3   0.146692D+01  0.147487D+02  0.287089D+02 -0.444017D+01 -0.483789D+01
      4  -0.216963D-01 -0.240818D+01 -0.357158D+01  0.707587D+01  0.108740D+02
      5   0.645903D+01 -0.321799D+01 -0.312972D+01  0.338652D+01  0.117514D+01
      6   0.433832D-01  0.133033D+02  0.122759D+02  0.821227D+00 -0.125946D+00
               201           202           203           204           205 
      1   0.444210D+01  0.148046D+02  0.375164D+01 -0.801645D+00  0.728664D+01
      2  -0.138892D+01 -0.399265D+01  0.923587D+01  0.334149D+01 -0.381074D+01
      3  -0.305318D+01 -0.108120D+02 -0.129875D+02 -0.253985D+01 -0.347590D+01
      4   0.156834D+01  0.180253D+02  0.423751D+02  0.837369D+01  0.153184D+01
      5   0.258968D+01 -0.153903D+01  0.822972D+01  0.387222D+01  0.800743D+01
      6   0.112773D+01  0.166202D+00 -0.591854D+00  0.522023D+01 -0.443761D+00
               206           207           208           209           210 
      1   0.255345D+00  0.481633D+00  0.665821D+02 -0.172084D+02  0.197720D+02
      2   0.187171D+01 -0.345765D+01 -0.320355D+02  0.699938D+01 -0.757577D+01
      3  -0.212706D+01  0.297601D+01 -0.345466D+02  0.102090D+02 -0.121962D+02
      4   0.881980D+01  0.408012D+01 -0.171496D+02  0.118430D+02 -0.331811D+01
      5   0.374871D+01  0.616593D+01  0.172526D+02 -0.306056D+01  0.969602D+01
      6   0.417407D+01 -0.130884D+01  0.634755D+00 -0.487904D+00  0.240372D+01
               211           212           213           214           215 
      1  -0.310890D+02  0.125417D+02 -0.685812D+01  0.322232D+02 -0.664319D+01
      2   0.143629D+02 -0.326623D+01  0.311113D+01 -0.169135D+02  0.343674D+01
      3   0.167262D+02 -0.927550D+01  0.374699D+01 -0.153096D+02  0.320645D+01
      4   0.178649D+02 -0.120757D+02  0.729065D+01 -0.815550D+01  0.959995D+01
      5  -0.781943D+01  0.709420D+01 -0.802833D+01  0.228775D+02 -0.693106D+01
      6   0.117499D+01 -0.101905D+01  0.145912D+01 -0.136686D+01  0.207277D+01
               216           217           218           219           220 
      1   0.159935D+02  0.186466D+02 -0.220313D+01 -0.123506D+02 -0.571966D+01
      2  -0.114516D+02 -0.134842D+02  0.157613D+01  0.809112D+01  0.363787D+01
      3  -0.454194D+01 -0.516242D+01  0.626998D+00  0.425948D+01  0.208178D+01
      4  -0.634678D+01 -0.193404D+01  0.418689D+01 -0.222006D+01  0.677459D+01
      5   0.136221D+02 -0.147899D+02 -0.192061D+01  0.225551D+02 -0.436765D+00
      6  -0.196782D+01 -0.110732D+01 -0.685855D+00 -0.423890D+00 -0.188007D+01
               221           222           223           224           225 
      1   0.229916D+01 -0.254879D+00 -0.222190D+02 -0.211809D+01  0.135741D+02
      2  -0.159625D+01  0.537017D+00  0.180905D+02  0.102146D+01 -0.219956D+02
      3  -0.702914D+00 -0.282138D+00  0.412847D+01  0.109663D+01  0.842159D+01
      4   0.170400D+01 -0.510798D+01 -0.230142D+01 -0.711576D+01  0.158497D+00
      5  -0.459579D+01 -0.359506D+01  0.318242D+02 -0.580893D-01 -0.503683D+02
      6   0.183146D-01  0.491226D+01  0.122943D+01  0.418049D+01 -0.237960D+01
               226           227           228           229           230 
      1  -0.154510D+02 -0.177248D+02 -0.196317D+00 -0.139334D+02 -0.182658D+02
      2   0.155104D+02  0.215632D+02  0.117749D+00  0.146512D+02  0.259370D+02
      3  -0.593342D-01 -0.383847D+01  0.785674D-01 -0.717747D+00 -0.767114D+01
      4   0.870596D+01  0.211806D+01 -0.297822D+01  0.647850D+01 -0.798638D-01
      5   0.562428D+01  0.584490D+00  0.113059D+01  0.273640D+01  0.229046D+01
      6  -0.454524D+00  0.423250D+01  0.314741D+01  0.146640D+01  0.225208D+01
               231           232           233           234           235 
      1  -0.660991D+00  0.147743D+01  0.113726D+01 -0.602811D+01  0.379568D+01
      2  -0.145913D+01 -0.135292D+01 -0.233446D+01 -0.580842D+00 -0.250856D+01
      3   0.212012D+01 -0.124516D+00  0.119721D+01  0.660896D+01 -0.128711D+01
      4   0.429189D+00 -0.328819D+01  0.370046D+01 -0.240422D+01 -0.779926D+01
      5   0.699957D+00  0.409770D+01 -0.409030D+01  0.593806D+01 -0.786225D+01
      6   0.335502D+01  0.503291D+00  0.552354D+01 -0.217031D+01  0.427146D+01
               236           237           238           239           240 
      1  -0.271252D+01 -0.446008D+01 -0.402664D+00 -0.223757D+01 -0.261909D+01
      2   0.431349D+00  0.468586D+01 -0.513825D+00  0.684627D+00  0.456719D+01
      3   0.228117D+01 -0.225784D+00  0.916489D+00  0.155294D+01 -0.194810D+01
      4   0.790701D+01  0.496586D+01  0.509099D+01 -0.293682D+01 -0.365465D+01
      5   0.292810D+01  0.136528D+02 -0.198132D+00 -0.339680D+01 -0.528708D+01
      6  -0.205363D+01 -0.758973D+01 -0.115286D+01  0.397582D+01  0.961896D+01
               241           242           243           244           245 
      1  -0.400474D+01 -0.550224D+01 -0.899020D+01  0.256082D+02 -0.126971D+02
      2   0.619023D+01  0.443995D+01 -0.122249D+02  0.142083D+01 -0.881389D+01
      3  -0.218549D+01  0.106228D+01  0.212151D+02 -0.270291D+02  0.215110D+02
      4   0.818917D+01 -0.101944D+02 -0.135129D+02 -0.359218D+02  0.325908D+02
      5   0.156832D+02 -0.106257D+02 -0.353328D+02  0.410246D+01 -0.197251D+01
      6  -0.973137D+01  0.146622D+02  0.303732D+02 -0.467079D+01  0.305177D+01
               246           247           248           249           250 
      1   0.727985D+01 -0.849668D+01  0.317579D+01 -0.466902D+00  0.964946D+01
      2   0.197577D+01 -0.753830D+01  0.170906D+02 -0.470374D+01  0.540513D+00
      3  -0.925562D+01  0.160350D+02 -0.202664D+02  0.517064D+01 -0.101900D+02
      4  -0.752231D+01  0.255519D+02 -0.289801D+02  0.807714D+01 -0.162624D+02
      5   0.435475D+01 -0.226899D+01  0.512230D+01 -0.377789D+01  0.105542D+02
      6  -0.546237D+01  0.338553D+01 -0.522407D+01  0.535106D+01 -0.849789D+01
               251           252           253           254           255 
      1  -0.174077D+01  0.279894D+01 -0.148674D+02  0.115781D+02 -0.260045D+01
      2  -0.853580D+01 -0.994921D+00  0.553442D+01 -0.216685D+01  0.104721D+01
      3   0.102766D+02 -0.180402D+01  0.933301D+01 -0.941125D+01  0.155324D+01
      4   0.176991D+02 -0.116430D+02  0.154584D+02 -0.172336D+02 -0.831130D+00
      5  -0.830919D+01  0.849707D+01 -0.151678D+01 -0.762836D+00 -0.170350D+02
      6   0.836754D+01 -0.696634D+01  0.109775D+00 -0.939861D-01  0.223154D+01
               256           257           258           259           260 
      1   0.506168D+01 -0.317619D+01 -0.219395D+01 -0.129062D+01 -0.685785D+00
      2  -0.489038D+01 -0.988420D+01  0.207459D+00  0.516387D+00  0.180234D+01
      3  -0.171296D+00  0.130604D+02  0.198649D+01  0.774233D+00 -0.111656D+01
      4  -0.286346D+02 -0.369297D+02  0.196049D+01  0.219014D+01  0.327867D+01
      5   0.113201D+01  0.167344D+01 -0.101632D+02  0.594486D+01 -0.558724D+01
      6  -0.103510D+01  0.792434D+00 -0.797357D+01  0.773691D+00  0.408256D+01
               261           262           263           264           265 
      1  -0.203755D+01 -0.261613D+02 -0.368182D+02  0.351321D+01 -0.570903D+02
      2  -0.595591D+01  0.178373D+02  0.168597D+02 -0.209679D+01  0.274269D+02
      3   0.799346D+01  0.832401D+01  0.199586D+02 -0.141641D+01  0.296634D+02
      4  -0.525544D+01 -0.408143D+02  0.737779D+01  0.133019D+01 -0.410209D+01
      5   0.328262D+01  0.332983D+01  0.120553D+01  0.553110D+01  0.125891D+01
      6   0.187423D+01 -0.886656D+00 -0.598862D+00 -0.238717D+01 -0.118048D+00
               266           267           268           269           270 
      1  -0.185502D+01  0.201955D+01  0.652316D+01  0.238572D+01  0.504237D+01
      2   0.183496D+01 -0.355235D+01 -0.252268D+01 -0.431915D+01 -0.564086D+01
      3   0.200562D-01  0.153280D+01 -0.400048D+01  0.193343D+01  0.598498D+00
      4   0.181721D+02  0.372128D+01  0.186144D+01  0.459618D+01  0.368044D+02
      5   0.413661D+01  0.334757D+02 -0.839590D+01  0.389756D+02 -0.887742D+01
      6  -0.188557D+01 -0.110886D+02  0.524027D+01 -0.147791D+02  0.298747D+01
               271           272           273           274           275 
      1   0.162293D+02  0.119357D+02 -0.171307D+01  0.349089D+02 -0.108622D+02
      2  -0.504591D+01 -0.395074D+01  0.532787D+00 -0.988309D+01  0.325565D+02
      3  -0.111834D+02 -0.798498D+01  0.118028D+01 -0.250258D+02 -0.216943D+02
      4   0.183805D+02  0.217716D+02 -0.625903D+00  0.350686D+02  0.719636D+02
      5  -0.113974D+01 -0.582164D+00  0.107363D+02 -0.716462D-01 -0.298382D+01
      6  -0.302288D+00  0.174435D+00  0.343512D+00  0.913857D+00 -0.394870D+00
               276           277           278           279           280 
      1   0.193634D+01 -0.372000D+01  0.126563D+01 -0.131770D+01  0.760191D+01
      2  -0.107690D+01  0.107734D+01 -0.950359D+00 -0.140496D+00 -0.468155D+01
      3  -0.859444D+00  0.264266D+01 -0.315272D+00  0.145820D+01 -0.292036D+01
      4  -0.300358D+01 -0.184593D+01 -0.369144D+01  0.159904D+02 -0.222008D+01
      5   0.153540D+02  0.141519D+02  0.147611D+02 -0.953563D+00  0.820332D+01
      6   0.141935D+02  0.283358D+01  0.117947D+02 -0.369774D+01 -0.342587D+01
               281           282           283           284           285 
      1  -0.270261D+01  0.844724D+01 -0.720864D+01 -0.368369D+00  0.205071D+01
      2   0.154664D+01 -0.423783D+01  0.255120D+01  0.506922D+01 -0.222368D+01
      3   0.115597D+01 -0.420941D+01  0.465743D+01 -0.470085D+01  0.172971D+00
      4   0.262917D+01 -0.359241D+01  0.138619D+02 -0.284008D+02  0.156512D+02
      5  -0.295079D+01  0.502712D+01 -0.669283D+01  0.160979D+02 -0.224741D+02
      6   0.280220D+00 -0.439515D+00  0.306169D+01 -0.937173D+01  0.110036D+02
               286           287           288           289           290 
      1   0.178924D+02 -0.133989D+00 -0.262045D+01  0.100853D+03  0.200095D+02
      2  -0.100032D+02 -0.781967D+00 -0.448631D+01 -0.536729D+02 -0.115982D+02
      3  -0.788922D+01  0.915957D+00  0.710676D+01 -0.471804D+02 -0.841131D+01
      4  -0.122270D+02  0.210462D+02 -0.234298D+02  0.147803D+02  0.146860D+02
      5   0.167899D+02 -0.248921D+02  0.413827D+02 -0.139297D+01 -0.421926D+00
      6  -0.506712D+01  0.126214D+02 -0.145843D+02  0.794654D+00  0.427423D+00
               291           292           293           294           295 
      1  -0.248654D+01  0.417717D+02  0.156253D+02 -0.737025D+00 -0.569204D+01
      2   0.110770D+01 -0.222944D+02 -0.757254D+01  0.690100D+00  0.298641D+01
      3   0.137884D+01 -0.194773D+02 -0.805272D+01  0.469247D-01  0.270563D+01
      4  -0.430670D+00  0.174626D+02  0.141202D+02 -0.106822D+01 -0.509317D+00
      5   0.137656D+02 -0.474736D+00 -0.978752D+00  0.377285D+01  0.151388D+02
      6  -0.832744D+00  0.413672D+00  0.421337D+00  0.204840D+01 -0.283941D+00
               296           297           298           299           300 
      1  -0.988945D+00  0.107218D+02  0.670207D+01 -0.363457D+01 -0.771131D+01
      2   0.900539D+00 -0.643174D+01 -0.288635D+01  0.203770D+01  0.356258D+01
      3   0.884060D-01 -0.429009D+01 -0.381572D+01  0.159686D+01  0.414872D+01
      4  -0.161888D+01 -0.323459D+00 -0.235208D+01  0.225716D+01  0.261892D+01
      5   0.112955D+00 -0.801811D+00 -0.668226D+01  0.180096D+01  0.203359D+01
      6   0.266131D+01 -0.869907D-01  0.325406D+01  0.271980D+00  0.387077D+00
               301           302           303           304           305 
      1  -0.946459D+01 -0.151015D+01 -0.318251D+01 -0.167540D+02 -0.111958D+01
      2   0.278546D+01  0.988728D+01  0.511667D+01  0.801873D+01  0.425797D+01
      3   0.667912D+01 -0.837713D+01 -0.193416D+01  0.873525D+01 -0.313839D+01
      4   0.157083D+02 -0.365157D+02 -0.169694D+02  0.109684D+02 -0.231619D+02
      5   0.513207D+01 -0.178487D+02 -0.221417D+02  0.127908D+02 -0.243349D+02
      6  -0.275159D+01  0.102712D+02  0.103417D+02 -0.440470D+01  0.122585D+02
               306 
      1  -0.301487D+01
      2  -0.303948D+00
      3   0.331881D+01
      4  -0.227121D+02
      5  -0.295445D+02
      6   0.117081D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 00:27:45 2021, MaxMem= 17179869184 cpu:           82822.3 elap:            6918.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51474 -19.46213 -10.57235 -10.48757 -10.44549
 Alpha  occ. eigenvalues --  -10.44440 -10.44211 -10.43291 -10.42768 -10.42641
 Alpha  occ. eigenvalues --  -10.42410 -10.42396 -10.42391 -10.42361  -1.24926
 Alpha  occ. eigenvalues --   -1.15332  -1.03151  -0.91799  -0.90294  -0.89765
 Alpha  occ. eigenvalues --   -0.87434  -0.81577  -0.80993  -0.76774  -0.75436
 Alpha  occ. eigenvalues --   -0.70269  -0.65643  -0.64650  -0.61600  -0.60604
 Alpha  occ. eigenvalues --   -0.60292  -0.58954  -0.58767  -0.56010  -0.55000
 Alpha  occ. eigenvalues --   -0.53039  -0.52629  -0.51953  -0.51131  -0.50371
 Alpha  occ. eigenvalues --   -0.50198  -0.48935  -0.48632  -0.47436  -0.47017
 Alpha  occ. eigenvalues --   -0.45603  -0.44008  -0.43442  -0.41870  -0.41635
 Alpha  occ. eigenvalues --   -0.39846  -0.39340  -0.39213  -0.38123
 Alpha virt. eigenvalues --   -0.01297  -0.00761  -0.00566  -0.00177   0.00862
 Alpha virt. eigenvalues --    0.00972   0.01303   0.01512   0.01599   0.02743
 Alpha virt. eigenvalues --    0.03082   0.03261   0.03726   0.03984   0.04213
 Alpha virt. eigenvalues --    0.04651   0.05674   0.05835   0.06077   0.07212
 Alpha virt. eigenvalues --    0.07625   0.08767   0.09090   0.09468   0.09738
 Alpha virt. eigenvalues --    0.10093   0.10191   0.10276   0.10381   0.10831
 Alpha virt. eigenvalues --    0.11271   0.11704   0.11778   0.12485   0.12541
 Alpha virt. eigenvalues --    0.13012   0.13277   0.13597   0.13901   0.14214
 Alpha virt. eigenvalues --    0.14609   0.14876   0.15135   0.15425   0.15534
 Alpha virt. eigenvalues --    0.15973   0.16314   0.16675   0.16943   0.17607
 Alpha virt. eigenvalues --    0.17891   0.18091   0.18935   0.19265   0.19600
 Alpha virt. eigenvalues --    0.19914   0.20137   0.20549   0.21327   0.21482
 Alpha virt. eigenvalues --    0.21861   0.22485   0.23317   0.24148   0.24412
 Alpha virt. eigenvalues --    0.24961   0.25219   0.25876   0.26252   0.26494
 Alpha virt. eigenvalues --    0.26797   0.26956   0.27871   0.28100   0.28271
 Alpha virt. eigenvalues --    0.28489   0.29079   0.29317   0.30014   0.30436
 Alpha virt. eigenvalues --    0.30771   0.30789   0.31374   0.31976   0.32582
 Alpha virt. eigenvalues --    0.33579   0.33916   0.34488   0.34967   0.35148
 Alpha virt. eigenvalues --    0.35437   0.35679   0.36003   0.36484   0.37166
 Alpha virt. eigenvalues --    0.37197   0.37771   0.37992   0.38613   0.38914
 Alpha virt. eigenvalues --    0.39022   0.39536   0.40499   0.40665   0.41047
 Alpha virt. eigenvalues --    0.41536   0.41632   0.42223   0.42704   0.43067
 Alpha virt. eigenvalues --    0.43450   0.44217   0.44341   0.45083   0.45554
 Alpha virt. eigenvalues --    0.46087   0.46371   0.46667   0.47313   0.47407
 Alpha virt. eigenvalues --    0.47564   0.47899   0.48148   0.48580   0.49334
 Alpha virt. eigenvalues --    0.49399   0.50002   0.50685   0.51143   0.51429
 Alpha virt. eigenvalues --    0.52212   0.52624   0.52843   0.53425   0.54140
 Alpha virt. eigenvalues --    0.54362   0.54864   0.55930   0.56135   0.56816
 Alpha virt. eigenvalues --    0.56856   0.57491   0.58106   0.58456   0.58885
 Alpha virt. eigenvalues --    0.59231   0.59585   0.59913   0.60735   0.61360
 Alpha virt. eigenvalues --    0.61602   0.61668   0.62490   0.62633   0.62809
 Alpha virt. eigenvalues --    0.63105   0.63638   0.64502   0.64741   0.64859
 Alpha virt. eigenvalues --    0.65237   0.65343   0.65997   0.66396   0.67347
 Alpha virt. eigenvalues --    0.67534   0.67974   0.68846   0.68985   0.69146
 Alpha virt. eigenvalues --    0.70277   0.70417   0.70655   0.71660   0.72193
 Alpha virt. eigenvalues --    0.72507   0.73070   0.73237   0.73598   0.74004
 Alpha virt. eigenvalues --    0.74126   0.74899   0.75571   0.75978   0.76405
 Alpha virt. eigenvalues --    0.77023   0.77975   0.78077   0.78428   0.78662
 Alpha virt. eigenvalues --    0.79524   0.79676   0.80420   0.80570   0.80667
 Alpha virt. eigenvalues --    0.80974   0.81471   0.81841   0.82767   0.83733
 Alpha virt. eigenvalues --    0.84353   0.84847   0.85446   0.85914   0.87282
 Alpha virt. eigenvalues --    0.87327   0.88193   0.88273   0.89365   0.89981
 Alpha virt. eigenvalues --    0.90347   0.90564   0.91471   0.91592   0.92251
 Alpha virt. eigenvalues --    0.92623   0.93406   0.94394   0.94863   0.96233
 Alpha virt. eigenvalues --    0.96523   0.97255   0.97908   0.99163   0.99313
 Alpha virt. eigenvalues --    0.99709   1.00253   1.01041   1.02785   1.02832
 Alpha virt. eigenvalues --    1.03361   1.04223   1.05299   1.05959   1.06310
 Alpha virt. eigenvalues --    1.08008   1.09542   1.09852   1.10890   1.12043
 Alpha virt. eigenvalues --    1.13739   1.14227   1.14978   1.15402   1.17743
 Alpha virt. eigenvalues --    1.18488   1.18866   1.20331   1.20569   1.21273
 Alpha virt. eigenvalues --    1.21991   1.23112   1.23867   1.24546   1.25345
 Alpha virt. eigenvalues --    1.25729   1.26641   1.28037   1.30066   1.31032
 Alpha virt. eigenvalues --    1.31460   1.32042   1.32699   1.33070   1.34868
 Alpha virt. eigenvalues --    1.36280   1.37611   1.37930   1.40236   1.40549
 Alpha virt. eigenvalues --    1.41050   1.43863   1.44322   1.44914   1.46206
 Alpha virt. eigenvalues --    1.48241   1.48703   1.49506   1.52924   1.54262
 Alpha virt. eigenvalues --    1.54682   1.57176   1.58054   1.58467   1.58991
 Alpha virt. eigenvalues --    1.59097   1.60363   1.61133   1.61865   1.63324
 Alpha virt. eigenvalues --    1.64667   1.64938   1.66390   1.67310   1.67749
 Alpha virt. eigenvalues --    1.68464   1.69508   1.70508   1.70856   1.72241
 Alpha virt. eigenvalues --    1.72635   1.73063   1.74274   1.76279   1.76872
 Alpha virt. eigenvalues --    1.78146   1.78643   1.79047   1.79781   1.80258
 Alpha virt. eigenvalues --    1.81791   1.82502   1.83736   1.85143   1.85695
 Alpha virt. eigenvalues --    1.87613   1.88341   1.89619   1.90768   1.91790
 Alpha virt. eigenvalues --    1.92683   1.93385   1.93683   1.94299   1.94927
 Alpha virt. eigenvalues --    1.95821   1.96766   1.97295   1.98698   1.99107
 Alpha virt. eigenvalues --    1.99872   2.00497   2.01985   2.02982   2.03555
 Alpha virt. eigenvalues --    2.04804   2.05020   2.05566   2.06283   2.06697
 Alpha virt. eigenvalues --    2.07045   2.07885   2.09958   2.10864   2.11720
 Alpha virt. eigenvalues --    2.12419   2.13381   2.13605   2.14481   2.15484
 Alpha virt. eigenvalues --    2.17011   2.18124   2.18834   2.19151   2.20720
 Alpha virt. eigenvalues --    2.21047   2.22060   2.23105   2.24436   2.26221
 Alpha virt. eigenvalues --    2.26906   2.27792   2.28513   2.29303   2.30838
 Alpha virt. eigenvalues --    2.30969   2.31735   2.32109   2.32956   2.34458
 Alpha virt. eigenvalues --    2.35134   2.35782   2.37538   2.40188   2.40503
 Alpha virt. eigenvalues --    2.41192   2.41998   2.43802   2.45608   2.45734
 Alpha virt. eigenvalues --    2.46479   2.47483   2.47805   2.49370   2.50935
 Alpha virt. eigenvalues --    2.51655   2.52589   2.53220   2.53975   2.54870
 Alpha virt. eigenvalues --    2.57228   2.57981   2.59875   2.60211   2.60951
 Alpha virt. eigenvalues --    2.61878   2.63856   2.64900   2.65573   2.66527
 Alpha virt. eigenvalues --    2.68464   2.69294   2.70718   2.71804   2.72598
 Alpha virt. eigenvalues --    2.74028   2.74771   2.75029   2.75989   2.77661
 Alpha virt. eigenvalues --    2.79127   2.81270   2.83094   2.84088   2.86425
 Alpha virt. eigenvalues --    2.86672   2.88967   2.92020   2.93502   2.95486
 Alpha virt. eigenvalues --    2.99772   3.02167   3.05597   3.09583   3.11712
 Alpha virt. eigenvalues --    3.14557   3.16229   3.17841   3.26914   3.28093
 Alpha virt. eigenvalues --    3.42499   3.44630   3.48398   3.51046   3.53269
 Alpha virt. eigenvalues --    3.58103   3.58974   3.64824   3.68737   3.69581
 Alpha virt. eigenvalues --    3.73784   3.82825   3.87085   3.95974   4.02470
 Alpha virt. eigenvalues --    4.44415   5.06778   5.57906
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.349592  -4.164787  -3.659057   0.327701   0.097647   3.299650
     2  C   -4.164787  13.866829   2.810142  -0.776297  -2.685258  -2.670101
     3  C   -3.659057   2.810142  20.573854  -5.332654   0.503110  -1.953689
     4  C    0.327701  -0.776297  -5.332654  13.795735  -5.417211   0.552946
     5  C    0.097647  -2.685258   0.503110  -5.417211  21.937967  -7.875335
     6  C    3.299650  -2.670101  -1.953689   0.552946  -7.875335  31.073345
     7  H   -0.719491   0.386591   0.774276   0.039073  -0.040407   0.088092
     8  H   -0.741428   0.696777  -0.520404   0.183282  -0.049647  -0.667561
     9  H    0.350105  -1.146437  -0.052952  -0.147496   0.168531   0.622195
    10  H    0.148747  -1.351290  -0.412248   0.113106   0.506319  -0.744499
    11  C   -0.146967   0.076353  -4.957077   1.085961   1.007672  -7.844003
    12  H    0.504942  -0.083754  -3.482762   0.688053   0.214647   0.031774
    13  H    0.072081  -0.260536   0.855340  -1.207218   0.636136   0.261209
    14  H    0.052708   0.450964  -0.669917  -0.704184   0.174047  -0.274025
    15  H    0.066101   0.198685  -0.516276   1.256417  -3.334487  -0.626924
    16  O   -0.120588   0.085736  -0.026503   0.702602  -1.115704  -0.603757
    17  C    0.089914  -1.206018   0.124248   0.421990   0.219307  -2.959863
    18  C   -0.317672  -0.161125   0.147988  -0.373766   0.283398  -0.081641
    19  C   -0.240059   0.370919   0.228124  -0.462752  -0.492881  -0.531250
    20  H    0.084032   0.010736  -0.141707   0.083657   0.363225  -0.211766
    21  H   -0.007594  -0.014516   0.158874  -0.118092   0.155231   0.156173
    22  H   -0.099401   0.045574   0.093976   0.066292  -0.388364  -0.122948
    23  H   -0.223332  -0.038918  -0.073777   0.033788   0.017401  -0.510613
    24  H    0.247621  -0.121447  -0.207424   0.132629   0.010564   0.321039
    25  H   -0.096182   0.156309   0.129618  -0.114972   0.121403  -0.112271
    26  H   -0.004826   0.151559  -0.135109  -0.427223  -0.178945   0.054737
    27  H   -0.078635   0.011489   0.150754  -0.097474   0.597508  -0.946475
    28  H    0.128215  -0.147589  -0.199248   0.367049  -0.130794   0.572130
    29  C    0.074899  -0.313661  -0.333538   0.457867  -0.410853  -0.880705
    30  C   -0.011349  -0.035907   0.008954  -0.031379   0.040559   0.037079
    31  O   -0.006593   0.006953   0.005651   0.057209  -0.098987   0.072894
    32  H    0.003629  -0.009320   0.007893  -0.018711   0.004156   0.032913
    33  H    0.002480  -0.005263  -0.005496   0.023747   0.027998  -0.001070
    34  H   -0.001591  -0.005730   0.005145  -0.049684   0.087022  -0.034415
               7          8          9         10         11         12
     1  C   -0.719491  -0.741428   0.350105   0.148747  -0.146967   0.504942
     2  C    0.386591   0.696777  -1.146437  -1.351290   0.076353  -0.083754
     3  C    0.774276  -0.520404  -0.052952  -0.412248  -4.957077  -3.482762
     4  C    0.039073   0.183282  -0.147496   0.113106   1.085961   0.688053
     5  C   -0.040407  -0.049647   0.168531   0.506319   1.007672   0.214647
     6  C    0.088092  -0.667561   0.622195  -0.744499  -7.844003   0.031774
     7  H    3.323186  -1.322997   0.389694  -0.734532  -0.604562  -0.137122
     8  H   -1.322997   3.264816  -0.484689   0.401772   0.509977   0.097214
     9  H    0.389694  -0.484689   4.102504  -1.773441  -0.541554  -0.002933
    10  H   -0.734532   0.401772  -1.773441   4.803361   1.117265  -0.001412
    11  C   -0.604562   0.509977  -0.541554   1.117265  25.019035   0.351605
    12  H   -0.137122   0.097214  -0.002933  -0.001412   0.351605   3.683716
    13  H   -0.013397   0.061765  -0.018520   0.002294  -0.291360  -0.207280
    14  H    0.075143  -0.128311   0.077728  -0.012512   0.162895   0.105153
    15  H    0.010458  -0.030376   0.096238   0.012560   0.428088   0.003124
    16  O   -0.038243   0.076811  -0.361371   0.239726   0.409703  -0.008487
    17  C    0.045164  -0.062299   0.096638  -0.390221  -0.985840  -0.047846
    18  C   -0.118589   0.131030   0.158723  -0.204103  -3.503154   0.076014
    19  C    0.017946  -0.029920  -0.043923   0.077663  -1.880495  -0.032307
    20  H   -0.001867  -0.000091  -0.016992   0.002296  -0.093233   0.002617
    21  H    0.021468  -0.011880   0.065738  -0.105418   0.005351  -0.002957
    22  H   -0.006239   0.001725  -0.007017   0.012383   0.028591  -0.005919
    23  H   -0.084258   0.021094   0.034494  -0.083871   0.802893  -0.006684
    24  H    0.011150   0.027914  -0.015501   0.021241  -0.336126   0.009849
    25  H    0.035797  -0.016505   0.028349  -0.015988  -0.037123   0.028158
    26  H    0.002225   0.004024  -0.003821  -0.001729   0.483660   0.021652
    27  H   -0.015857   0.005648  -0.008603   0.022988   0.338444   0.014514
    28  H    0.017997  -0.004521   0.004364  -0.010212  -0.254810   0.000182
    29  C    0.004161   0.003246  -0.117791   0.056102   0.032902   0.006658
    30  C    0.004481  -0.019352   0.034793  -0.012951  -0.083128   0.000132
    31  O    0.000394  -0.003786   0.001737   0.000199  -0.017517   0.000510
    32  H    0.000567  -0.000301  -0.000072   0.000080  -0.005283   0.000138
    33  H   -0.000018   0.001069  -0.004018  -0.000220   0.001714  -0.000302
    34  H    0.001124  -0.005999   0.003682  -0.000514  -0.004907   0.000580
              13         14         15         16         17         18
     1  C    0.072081   0.052708   0.066101  -0.120588   0.089914  -0.317672
     2  C   -0.260536   0.450964   0.198685   0.085736  -1.206018  -0.161125
     3  C    0.855340  -0.669917  -0.516276  -0.026503   0.124248   0.147988
     4  C   -1.207218  -0.704184   1.256417   0.702602   0.421990  -0.373766
     5  C    0.636136   0.174047  -3.334487  -1.115704   0.219307   0.283398
     6  C    0.261209  -0.274025  -0.626924  -0.603757  -2.959863  -0.081641
     7  H   -0.013397   0.075143   0.010458  -0.038243   0.045164  -0.118589
     8  H    0.061765  -0.128311  -0.030376   0.076811  -0.062299   0.131030
     9  H   -0.018520   0.077728   0.096238  -0.361371   0.096638   0.158723
    10  H    0.002294  -0.012512   0.012560   0.239726  -0.390221  -0.204103
    11  C   -0.291360   0.162895   0.428088   0.409703  -0.985840  -3.503154
    12  H   -0.207280   0.105153   0.003124  -0.008487  -0.047846   0.076014
    13  H    3.209972  -1.142435  -0.575922   0.112838   0.085694   0.069320
    14  H   -1.142435   3.459952   0.345679  -0.239139  -0.153524  -0.071218
    15  H   -0.575922   0.345679   5.371911  -0.192820  -0.281247  -0.064097
    16  O    0.112838  -0.239139  -0.192820   9.545641  -0.068201  -0.043390
    17  C    0.085694  -0.153524  -0.281247  -0.068201   9.771429   0.056388
    18  C    0.069320  -0.071218  -0.064097  -0.043390   0.056388   8.805834
    19  C   -0.188902   0.176502   0.220696   0.020737  -0.300653  -0.766392
    20  H    0.000798  -0.009452   0.053326  -0.068580  -0.035277   0.063359
    21  H   -0.003421  -0.004145   0.009536  -0.002454  -0.475037  -0.123102
    22  H    0.016246  -0.001877  -0.152316   0.083565   0.312470   0.090053
    23  H    0.012606  -0.007893  -0.002912   0.002842   0.182027  -0.092552
    24  H    0.015308  -0.003375  -0.013811   0.006201  -0.018746  -0.078016
    25  H   -0.017478   0.006490   0.015260  -0.010961  -0.254560   0.015271
    26  H   -0.099208   0.021345  -0.086486  -0.008079   0.021151   0.127412
    27  H    0.029650  -0.015931   0.011887   0.014861  -0.102317   0.072517
    28  H    0.027936   0.024008   0.008991  -0.008444   0.020777  -0.239350
    29  C    0.004473  -0.092865  -0.192347   0.164669   0.109005  -0.068256
    30  C   -0.010224  -0.009061  -0.021565  -0.298979   0.046368  -0.006117
    31  O    0.000189  -0.011017   0.000224  -0.013237  -0.001117  -0.001219
    32  H   -0.003160   0.002450   0.003513  -0.160633  -0.010030  -0.001747
    33  H    0.002656  -0.004392  -0.001582   0.176414   0.000011   0.000062
    34  H    0.000795  -0.006858   0.009827  -0.216120   0.007890  -0.000553
              19         20         21         22         23         24
     1  C   -0.240059   0.084032  -0.007594  -0.099401  -0.223332   0.247621
     2  C    0.370919   0.010736  -0.014516   0.045574  -0.038918  -0.121447
     3  C    0.228124  -0.141707   0.158874   0.093976  -0.073777  -0.207424
     4  C   -0.462752   0.083657  -0.118092   0.066292   0.033788   0.132629
     5  C   -0.492881   0.363225   0.155231  -0.388364   0.017401   0.010564
     6  C   -0.531250  -0.211766   0.156173  -0.122948  -0.510613   0.321039
     7  H    0.017946  -0.001867   0.021468  -0.006239  -0.084258   0.011150
     8  H   -0.029920  -0.000091  -0.011880   0.001725   0.021094   0.027914
     9  H   -0.043923  -0.016992   0.065738  -0.007017   0.034494  -0.015501
    10  H    0.077663   0.002296  -0.105418   0.012383  -0.083871   0.021241
    11  C   -1.880495  -0.093233   0.005351   0.028591   0.802893  -0.336126
    12  H   -0.032307   0.002617  -0.002957  -0.005919  -0.006684   0.009849
    13  H   -0.188902   0.000798  -0.003421   0.016246   0.012606   0.015308
    14  H    0.176502  -0.009452  -0.004145  -0.001877  -0.007893  -0.003375
    15  H    0.220696   0.053326   0.009536  -0.152316  -0.002912  -0.013811
    16  O    0.020737  -0.068580  -0.002454   0.083565   0.002842   0.006201
    17  C   -0.300653  -0.035277  -0.475037   0.312470   0.182027  -0.018746
    18  C   -0.766392   0.063359  -0.123102   0.090053  -0.092552  -0.078016
    19  C    8.208380   0.023941   0.074906  -0.135389   0.059842  -0.211012
    20  H    0.023941   2.213314  -0.647437  -0.575113   0.020927  -0.013015
    21  H    0.074906  -0.647437   2.687037  -0.655276  -0.038191   0.034067
    22  H   -0.135389  -0.575113  -0.655276   2.565142   0.023592   0.003752
    23  H    0.059842   0.020927  -0.038191   0.023592   2.784673  -0.717635
    24  H   -0.211012  -0.013015   0.034067   0.003752  -0.717635   2.684714
    25  H    0.060004   0.016352  -0.035299  -0.010314  -0.765333  -0.627828
    26  H    0.050862   0.011884   0.027942  -0.041704  -0.059564   0.040277
    27  H   -0.106677   0.016761   0.001531  -0.022647   0.040145   0.026059
    28  H   -0.284372  -0.010810   0.004202   0.027747   0.032865  -0.045441
    29  C    0.001664  -0.026220   0.033397  -0.015684  -0.004783   0.004224
    30  C   -0.003887  -0.024452   0.010096  -0.002398  -0.001845   0.000397
    31  O    0.013609  -0.000863   0.000222  -0.001411   0.000113  -0.000067
    32  H    0.001515  -0.010640   0.003825  -0.001536  -0.000543   0.000148
    33  H   -0.000376   0.000633  -0.000152  -0.000273   0.000021   0.000049
    34  H   -0.001122  -0.000008   0.001153  -0.001237  -0.000086  -0.000100
              25         26         27         28         29         30
     1  C   -0.096182  -0.004826  -0.078635   0.128215   0.074899  -0.011349
     2  C    0.156309   0.151559   0.011489  -0.147589  -0.313661  -0.035907
     3  C    0.129618  -0.135109   0.150754  -0.199248  -0.333538   0.008954
     4  C   -0.114972  -0.427223  -0.097474   0.367049   0.457867  -0.031379
     5  C    0.121403  -0.178945   0.597508  -0.130794  -0.410853   0.040559
     6  C   -0.112271   0.054737  -0.946475   0.572130  -0.880705   0.037079
     7  H    0.035797   0.002225  -0.015857   0.017997   0.004161   0.004481
     8  H   -0.016505   0.004024   0.005648  -0.004521   0.003246  -0.019352
     9  H    0.028349  -0.003821  -0.008603   0.004364  -0.117791   0.034793
    10  H   -0.015988  -0.001729   0.022988  -0.010212   0.056102  -0.012951
    11  C   -0.037123   0.483660   0.338444  -0.254810   0.032902  -0.083128
    12  H    0.028158   0.021652   0.014514   0.000182   0.006658   0.000132
    13  H   -0.017478  -0.099208   0.029650   0.027936   0.004473  -0.010224
    14  H    0.006490   0.021345  -0.015931   0.024008  -0.092865  -0.009061
    15  H    0.015260  -0.086486   0.011887   0.008991  -0.192347  -0.021565
    16  O   -0.010961  -0.008079   0.014861  -0.008444   0.164669  -0.298979
    17  C   -0.254560   0.021151  -0.102317   0.020777   0.109005   0.046368
    18  C    0.015271   0.127412   0.072517  -0.239350  -0.068256  -0.006117
    19  C    0.060004   0.050862  -0.106677  -0.284372   0.001664  -0.003887
    20  H    0.016352   0.011884   0.016761  -0.010810  -0.026220  -0.024452
    21  H   -0.035299   0.027942   0.001531   0.004202   0.033397   0.010096
    22  H   -0.010314  -0.041704  -0.022647   0.027747  -0.015684  -0.002398
    23  H   -0.765333  -0.059564   0.040145   0.032865  -0.004783  -0.001845
    24  H   -0.627828   0.040277   0.026059  -0.045441   0.004224   0.000397
    25  H    2.764516   0.048503  -0.136769   0.015197  -0.003800  -0.000247
    26  H    0.048503   3.069749  -0.759092  -0.818607  -0.066271  -0.004802
    27  H   -0.136769  -0.759092   2.701643  -0.556449   0.020508  -0.001291
    28  H    0.015197  -0.818607  -0.556449   2.630823   0.010202   0.000882
    29  C   -0.003800  -0.066271   0.020508   0.010202   7.171251  -0.126133
    30  C   -0.000247  -0.004802  -0.001291   0.000882  -0.126133   5.246804
    31  O   -0.000230  -0.007120   0.000708   0.001331   0.592365  -0.083117
    32  H   -0.000251   0.000480  -0.000078   0.000241   0.019529   0.344983
    33  H   -0.000002  -0.000808   0.000114   0.000045   0.079724   0.111973
    34  H    0.000054  -0.000970   0.000140  -0.000135   0.018302   0.376994
              31         32         33         34
     1  C   -0.006593   0.003629   0.002480  -0.001591
     2  C    0.006953  -0.009320  -0.005263  -0.005730
     3  C    0.005651   0.007893  -0.005496   0.005145
     4  C    0.057209  -0.018711   0.023747  -0.049684
     5  C   -0.098987   0.004156   0.027998   0.087022
     6  C    0.072894   0.032913  -0.001070  -0.034415
     7  H    0.000394   0.000567  -0.000018   0.001124
     8  H   -0.003786  -0.000301   0.001069  -0.005999
     9  H    0.001737  -0.000072  -0.004018   0.003682
    10  H    0.000199   0.000080  -0.000220  -0.000514
    11  C   -0.017517  -0.005283   0.001714  -0.004907
    12  H    0.000510   0.000138  -0.000302   0.000580
    13  H    0.000189  -0.003160   0.002656   0.000795
    14  H   -0.011017   0.002450  -0.004392  -0.006858
    15  H    0.000224   0.003513  -0.001582   0.009827
    16  O   -0.013237  -0.160633   0.176414  -0.216120
    17  C   -0.001117  -0.010030   0.000011   0.007890
    18  C   -0.001219  -0.001747   0.000062  -0.000553
    19  C    0.013609   0.001515  -0.000376  -0.001122
    20  H   -0.000863  -0.010640   0.000633  -0.000008
    21  H    0.000222   0.003825  -0.000152   0.001153
    22  H   -0.001411  -0.001536  -0.000273  -0.001237
    23  H    0.000113  -0.000543   0.000021  -0.000086
    24  H   -0.000067   0.000148   0.000049  -0.000100
    25  H   -0.000230  -0.000251  -0.000002   0.000054
    26  H   -0.007120   0.000480  -0.000808  -0.000970
    27  H    0.000708  -0.000078   0.000114   0.000140
    28  H    0.001331   0.000241   0.000045  -0.000135
    29  C    0.592365   0.019529   0.079724   0.018302
    30  C   -0.083117   0.344983   0.111973   0.376994
    31  O    7.681643   0.007839  -0.023322   0.013725
    32  H    0.007839   1.137849  -0.204545  -0.108678
    33  H   -0.023322  -0.204545   1.148887  -0.212640
    34  H    0.013725  -0.108678  -0.212640   1.159643
 Mulliken charges:
               1
     1  C    0.739485
     2  C    1.872339
     3  C    2.101890
     4  C    0.890008
     5  C    1.045027
     6  C   -1.523263
     7  H   -0.411409
     8  H   -0.388097
     9  H   -0.488381
    10  H   -0.682940
    11  C   -4.274970
    12  H   -0.821468
    13  H   -0.438244
    14  H   -0.572932
    15  H   -1.029354
    16  O   -0.036655
    17  C    1.742325
    18  C    2.218688
    19  C    2.105060
    20  H   -0.080336
    21  H   -0.205781
    22  H   -0.124045
    23  H   -0.356533
    24  H   -0.187660
    25  H   -0.185165
    26  H   -0.433096
    27  H   -0.229570
    28  H   -0.184402
    29  C   -0.212239
    30  C    0.523693
    31  O   -0.187911
    32  H   -0.036218
    33  H   -0.113117
    34  H   -0.034727
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.060021
     2  C    0.701018
     3  C    1.280422
     4  C   -0.121168
     5  C    0.015673
     6  C   -1.523263
    11  C   -4.274970
    16  O   -0.036655
    17  C    1.332163
    18  C    1.489329
    19  C    1.257992
    29  C   -0.212239
    30  C    0.339631
    31  O   -0.187911
 Electronic spatial extent (au):  <R**2>=           2854.2871
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0333    Y=             -1.8299    Z=              0.1168  Tot=              2.1048
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -85.3085   YY=            -91.0737   ZZ=            -86.0775
   XY=             -8.5481   XZ=              0.6343   YZ=              0.3269
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1780   YY=             -3.5871   ZZ=              1.4091
   XY=             -8.5481   XZ=              0.6343   YZ=              0.3269
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             35.9996  YYY=             -3.3351  ZZZ=              0.0771  XYY=             -6.8891
  XXY=            -28.6574  XXZ=              1.3890  XZZ=              8.8587  YZZ=              1.0477
  YYZ=              0.1425  XYZ=              2.3242
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2403.8456 YYYY=           -714.6407 ZZZZ=           -674.3403 XXXY=            -89.7731
 XXXZ=             18.5481 YYYX=            -12.9684 YYYZ=             -3.7851 ZZZX=             -2.1030
 ZZZY=              0.8154 XXYY=           -568.5734 XXZZ=           -518.8651 YYZZ=           -227.0980
 XXYZ=             -1.1032 YYXZ=              3.8210 ZZXY=             -3.9042
 N-N= 1.014917255427D+03 E-N=-3.470429702585D+03  KE= 6.153925513712D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 00:27:46 2021, MaxMem= 17179869184 cpu:               4.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3825    0.3830       -1.0436   -1.0488
 2     -0.3825   -0.3830        0.2251    0.2285      -12.8679  -12.8774
 3      1.0436    1.0488       15.7555   15.7677       -0.2293   -0.2285
 4     -0.2251   -0.2285        0.0000    0.0000        1.0485    1.0488
 5     -2.8876   -2.8903       -1.0485   -1.0488        0.3796    0.3830
 6      0.2293    0.2285       -0.3796   -0.3830        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.1490   -1.1490       -3.1464   -3.1464
 2     -0.6856   -0.6856        0.0000    0.0000       -3.1464   -3.1464
 3     -0.6856   -0.6856       -1.1490   -1.1490        0.0000    0.0000
 4     -1.1490   -1.1490        0.6856    0.6856      -38.6321  -38.6321
 5      3.1464    3.1464       47.3030   47.3030       -0.6856   -0.6856
 6     -8.6709   -8.6709       -3.1464   -3.1464        1.1490    1.1490
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.1506    0.0000       -1.9009   -1.5320        4.7600    4.1952
 2      2.8390    1.5320       -0.0824   -0.9141       51.9801   51.5095
 3     -9.1014   -4.1952      -66.3800  -63.0706        0.0400    0.9141
 4      0.5832    0.9141       -0.4933    0.0000       -4.7428   -4.1952
 5     15.4602   11.5612        7.5209    4.1952       -0.4042   -1.5320
 6     -6.7141   -0.9141       -3.5170    1.5320       -1.9049    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.0700    0.0000        3.4357    2.5919       -0.8017   -0.7943
 2      1.9269   -2.5919      -24.5088  -26.7618       10.0572    8.4543
 3      4.3383    0.7943       12.1912    7.6589       27.4492   26.7618
 4     22.6329   26.7618       -3.0224    0.0000       -0.0533    0.7943
 5     -3.8668  -16.1132       10.1747   -0.7943        6.0059    2.5919
 6    -24.2307  -26.7618       -0.6478   -2.5919        0.8439    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.9498    9.3479      -27.8642  -22.1659        3.2169    5.4906
 2     40.8422   51.7799      -22.3550  -13.4841        1.9807    5.4906
 3     43.0372   51.7799      -29.0869  -22.1659        8.5803   10.8399
 4    -13.5381   -8.6818      -48.6145  -42.4320       16.7784   18.1026
 5      8.4529    5.3493       14.5978   11.6216       42.6419   42.4320
 6    -12.5642  -29.7242       10.3433   -5.3493       14.5877    8.6818
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.4858                 0.7277                 0.2341
  Dep-P Fr= 1--      0.7487                 0.7478                 0.7396
  Dep-U Fr= 1--      0.8563                 0.8557                 0.8503
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0693                 0.1038                 0.0332
 AlphaG Fr= 1--     -0.0001                -0.0004                -0.0005
 Gamma2 Fr= 1--      0.0474                 0.2302                 0.1203
 Delta2 Fr= 1--      0.0355                 0.1429                 0.0460
 Raman1 Fr= 1--       1.943                  2.911                  0.936
 ROA1   Fr= 1--       5.688                 26.672                 13.023
 CID1   Fr= 1--       2.927                  9.163                 13.910
 Raman2 Fr= 1--       0.832                  1.245                  0.398
 ROA2   Fr= 1--       0.855                  4.381                  2.520
 CID2   Fr= 1--       1.027                  3.518                  6.331
 Raman3 Fr= 1--       1.664                  2.491                  0.796
 ROA3   Fr= 1--       5.688                 26.672                 13.023
 CID3   Fr= 1--       3.418                 10.708                 16.358
 RC180  Fr= 1--       0.713                  0.711                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1107                 0.0492                 0.2531
  Dep-P Fr= 1--      0.7281                 0.2958                 0.7066
  Dep-U Fr= 1--      0.8426                 0.4565                 0.8281
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0002
 Beta2  Fr= 1--      0.0155                 0.0037                 0.0349
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0011
 Gamma2 Fr= 1--     -0.0473                -0.0523                -0.0064
 Delta2 Fr= 1--     -0.0180                 0.0266                -0.0073
 Raman1 Fr= 1--       0.443                  0.197                  1.012
 ROA1   Fr= 1--      -5.118                 -4.174                 -0.850
 CID1   Fr= 1--     -11.556                -21.206                 -0.840
 Raman2 Fr= 1--       0.187                  0.045                  0.419
 ROA2   Fr= 1--      -0.991                 -1.468                 -0.095
 CID2   Fr= 1--      -5.312                -32.681                 -0.227
 Raman3 Fr= 1--       0.373                  0.090                  0.838
 ROA3   Fr= 1--      -5.118                 -4.174                 -0.850
 CID3   Fr= 1--     -13.714                -46.451                 -1.014
 RC180  Fr= 1--       0.685                 -0.087                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.3629                 0.2672                 0.3503
  Dep-P Fr= 1--      0.3818                 0.3496                 0.6761
  Dep-U Fr= 1--      0.5526                 0.5181                 0.8068
 Alpha2 Fr= 1--      0.0029                 0.0023                 0.0005
 Beta2  Fr= 1--      0.0334                 0.0231                 0.0471
 AlphaG Fr= 1--     -0.0012                -0.0040                 0.0015
 Gamma2 Fr= 1--     -0.0008                -0.0982                 0.1816
 Delta2 Fr= 1--      0.0950                 0.0356                -0.0901
 Raman1 Fr= 1--       1.452                  1.069                  1.401
 ROA1   Fr= 1--       2.967                 -8.284                 14.548
 CID1   Fr= 1--       2.044                 -7.751                 10.384
 Raman2 Fr= 1--       0.401                  0.277                  0.565
 ROA2   Fr= 1--      -0.779                 -2.640                  5.079
 CID2   Fr= 1--      -1.942                 -9.537                  8.986
 Raman3 Fr= 1--       0.802                  0.554                  1.130
 ROA3   Fr= 1--       2.967                 -8.284                 14.548
 CID3   Fr= 1--       3.699                -14.961                 12.871
 RC180  Fr= 1--       0.105                  0.036                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      1.1243                 0.4557                 2.1526
  Dep-P Fr= 1--      0.1532                 0.7500                 0.1726
  Dep-U Fr= 1--      0.2658                 0.8571                 0.2944
 Alpha2 Fr= 1--      0.0172                 0.0000                 0.0314
 Beta2  Fr= 1--      0.0498                 0.0651                 0.1056
 AlphaG Fr= 1--     -0.0141                -0.0000                 0.0165
 Gamma2 Fr= 1--     -0.2851                -0.0609                 0.2041
 Delta2 Fr= 1--     -0.0455                 0.0094                 0.0633
 Raman1 Fr= 1--       4.497                  1.823                  8.610
 ROA1   Fr= 1--     -28.826                 -5.544                 21.618
 CID1   Fr= 1--      -6.410                 -3.041                  2.511
 Raman2 Fr= 1--       0.598                  0.781                  1.267
 ROA2   Fr= 1--      -6.479                 -1.536                  4.391
 CID2   Fr= 1--     -10.842                 -1.966                  3.465
 Raman3 Fr= 1--       1.195                  1.562                  2.534
 ROA3   Fr= 1--     -28.826                 -5.544                 21.618
 CID3   Fr= 1--     -24.119                 -3.548                  8.529
 RC180  Fr= 1--      -0.468                  0.714                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2365                 1.7486                 0.2541
  Dep-P Fr= 1--      0.4158                 0.3047                 0.7339
  Dep-U Fr= 1--      0.5873                 0.4671                 0.8465
 Alpha2 Fr= 1--      0.0017                 0.0177                 0.0001
 Beta2  Fr= 1--      0.0232                 0.1361                 0.0358
 AlphaG Fr= 1--      0.0089                -0.0065                -0.0004
 Gamma2 Fr= 1--     -0.1770                 0.3726                -0.2224
 Delta2 Fr= 1--     -0.0601                 0.1715                -0.2072
 Raman1 Fr= 1--       0.946                  6.994                  1.016
 ROA1   Fr= 1--     -18.919                 41.256                -27.976
 CID1   Fr= 1--     -19.997                  5.898                -27.528
 Raman2 Fr= 1--       0.278                  1.633                  0.430
 ROA2   Fr= 1--      -3.768                  7.570                 -3.679
 CID2   Fr= 1--     -13.561                  4.635                 -8.554
 Raman3 Fr= 1--       0.556                  3.267                  0.860
 ROA3   Fr= 1--     -18.919                 41.256                -27.976
 CID3   Fr= 1--     -34.047                 12.629                -32.518
 RC180  Fr= 1--       0.175                 -0.066                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.8358                 0.3816                 1.1421
  Dep-P Fr= 1--      0.3646                 0.2797                 0.7305
  Dep-U Fr= 1--      0.5344                 0.4371                 0.8443
 Alpha2 Fr= 1--      0.0070                 0.0042                 0.0004
 Beta2  Fr= 1--      0.0744                 0.0278                 0.1607
 AlphaG Fr= 1--     -0.0048                 0.0036                -0.0037
 Gamma2 Fr= 1--      0.0910                -0.1611                -0.1252
 Delta2 Fr= 1--      0.2756                -0.1374                -0.5152
 Raman1 Fr= 1--       3.343                  1.526                  4.568
 ROA1   Fr= 1--      17.561                -19.863                -28.504
 CID1   Fr= 1--       5.253                -13.014                 -6.240
 Raman2 Fr= 1--       0.893                  0.334                  1.928
 ROA2   Fr= 1--      -0.020                 -2.767                  1.117
 CID2   Fr= 1--      -0.022                 -8.296                  0.579
 Raman3 Fr= 1--       1.787                  0.667                  3.857
 ROA3   Fr= 1--      17.561                -19.863                -28.504
 CID3   Fr= 1--       9.829                -29.773                 -7.391
 RC180  Fr= 1--       0.069                 -0.126                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.5761                 2.3707                 2.0040
  Dep-P Fr= 1--      0.6773                 0.3269                 0.5159
  Dep-U Fr= 1--      0.8076                 0.4927                 0.6806
 Alpha2 Fr= 1--      0.0020                 0.0224                 0.0092
 Beta2  Fr= 1--      0.2121                 0.1947                 0.2273
 AlphaG Fr= 1--     -0.0006                 0.0107                 0.0110
 Gamma2 Fr= 1--      0.1762                -0.3480                 0.2765
 Delta2 Fr= 1--      0.3554                -0.2497                 0.0470
 Raman1 Fr= 1--       6.304                  9.483                  8.016
 ROA1   Fr= 1--      28.284                -41.397                 28.046
 CID1   Fr= 1--       4.486                 -4.365                  3.499
 Raman2 Fr= 1--       2.546                  2.336                  2.728
 ROA2   Fr= 1--       1.384                 -6.353                  6.259
 CID2   Fr= 1--       0.544                 -2.719                  2.294
 Raman3 Fr= 1--       5.091                  4.672                  5.456
 ROA3   Fr= 1--      28.284                -41.397                 28.046
 CID3   Fr= 1--       5.555                 -8.860                  5.140
 RC180  Fr= 1--       0.615                 -0.015                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      2.8848                 0.8255                18.9384
  Dep-P Fr= 1--      0.3104                 0.1217                 0.0221
  Dep-U Fr= 1--      0.4737                 0.2169                 0.0433
 Alpha2 Fr= 1--      0.0287                 0.0137                 0.3996
 Beta2  Fr= 1--      0.2278                 0.0298                 0.1366
 AlphaG Fr= 1--      0.0056                -0.0191                -0.1018
 Gamma2 Fr= 1--      0.4016                -0.1018                -0.5947
 Delta2 Fr= 1--      0.4167                -0.0253                -0.2478
 Raman1 Fr= 1--      11.539                  3.302                 75.753
 ROA1   Fr= 1--      51.890                -10.581                -65.017
 CID1   Fr= 1--       4.497                 -3.205                 -0.858
 Raman2 Fr= 1--       2.733                  0.358                  1.640
 ROA2   Fr= 1--       6.305                 -2.240                -12.290
 CID2   Fr= 1--       2.307                 -6.255                 -7.495
 Raman3 Fr= 1--       5.466                  0.716                  3.279
 ROA3   Fr= 1--      51.890                -10.581                -65.017
 CID3   Fr= 1--       9.493                -14.772                -19.826
 RC180  Fr= 1--      -0.053                 -0.566                 -0.913
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      6.0514                 3.0957                 3.1605
  Dep-P Fr= 1--      0.1474                 0.6989                 0.2385
  Dep-U Fr= 1--      0.2569                 0.8228                 0.3851
 Alpha2 Fr= 1--      0.0942                 0.0028                 0.0387
 Beta2  Fr= 1--      0.2591                 0.4245                 0.2029
 AlphaG Fr= 1--      0.0493                -0.0040                -0.0228
 Gamma2 Fr= 1--      0.6243                 0.1217                 0.3926
 Delta2 Fr= 1--      0.2439                 0.7075                -0.2413
 Raman1 Fr= 1--      24.205                 12.383                 12.642
 ROA1   Fr= 1--      67.737                 34.327                 29.967
 CID1   Fr= 1--       2.798                  2.772                  2.370
 Raman2 Fr= 1--       3.109                  5.094                  2.434
 ROA2   Fr= 1--      13.032                 -2.739                 11.353
 CID2   Fr= 1--       4.192                 -0.538                  4.664
 Raman3 Fr= 1--       6.217                 10.188                  4.869
 ROA3   Fr= 1--      67.737                 34.327                 29.967
 CID3   Fr= 1--      10.895                  3.369                  6.155
 RC180  Fr= 1--      -0.486                  0.646                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      8.8350                 8.5367                 2.6334
  Dep-P Fr= 1--      0.0365                 0.0691                 0.4836
  Dep-U Fr= 1--      0.0705                 0.1292                 0.6520
 Alpha2 Fr= 1--      0.1802                 0.1611                 0.0140
 Beta2  Fr= 1--      0.1038                 0.1838                 0.2861
 AlphaG Fr= 1--     -0.1299                -0.0285                 0.0198
 Gamma2 Fr= 1--      0.2032                -0.2062                 0.9079
 Delta2 Fr= 1--      0.1902                 0.1809                 0.6188
 Raman1 Fr= 1--      35.340                 34.147                 10.533
 ROA1   Fr= 1--      25.597                -14.004                106.963
 CID1   Fr= 1--       0.724                 -0.410                 10.155
 Raman2 Fr= 1--       1.245                  2.206                  3.434
 ROA2   Fr= 1--       3.356                 -6.395                 16.840
 CID2   Fr= 1--       2.696                 -2.899                  4.904
 Raman3 Fr= 1--       2.490                  4.412                  6.867
 ROA3   Fr= 1--      25.597                -14.004                106.963
 CID3   Fr= 1--      10.279                 -3.174                 15.576
 RC180  Fr= 1--      -0.859                 -0.742                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      6.1548                 5.7817                 6.3639
  Dep-P Fr= 1--      0.0993                 0.4572                 0.7461
  Dep-U Fr= 1--      0.1806                 0.6275                 0.8546
 Alpha2 Fr= 1--      0.1080                 0.0344                 0.0004
 Beta2  Fr= 1--      0.1852                 0.6047                 0.9064
 AlphaG Fr= 1--      0.0359                 0.0079                -0.0015
 Gamma2 Fr= 1--     -0.8194                -2.8371                -1.7403
 Delta2 Fr= 1--     -0.9810                -0.9239                -2.4507
 Raman1 Fr= 1--      24.619                 23.127                 25.456
 ROA1   Fr= 1--    -110.057               -301.927               -245.493
 CID1   Fr= 1--      -4.470                -13.055                 -9.644
 Raman2 Fr= 1--       2.223                  7.257                 10.877
 ROA2   Fr= 1--     -11.818                -60.700                -22.162
 CID2   Fr= 1--      -5.317                 -8.365                 -2.038
 Raman3 Fr= 1--       4.446                 14.513                 21.753
 ROA3   Fr= 1--    -110.057               -301.927               -245.493
 CID3   Fr= 1--     -24.755                -20.804                -11.285
 RC180  Fr= 1--      -0.639                  0.255                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.5380                 1.7886                 6.0769
  Dep-P Fr= 1--      0.4453                 0.2184                 0.3068
  Dep-U Fr= 1--      0.6162                 0.3585                 0.4695
 Alpha2 Fr= 1--      0.0346                 0.0231                 0.0611
 Beta2  Fr= 1--      0.5687                 0.1069                 0.4755
 AlphaG Fr= 1--      0.0057                 0.0097                 0.0243
 Gamma2 Fr= 1--     -0.3288                 0.7915                 2.8550
 Delta2 Fr= 1--      0.4135                -0.0155                 2.9016
 Raman1 Fr= 1--      22.152                  7.154                 24.307
 ROA1   Fr= 1--     -18.333                 75.484                366.928
 CID1   Fr= 1--      -0.828                 10.551                 15.095
 Raman2 Fr= 1--       6.825                  1.282                  5.706
 ROA2   Fr= 1--     -11.199                 19.119                 45.306
 CID2   Fr= 1--      -1.641                 14.911                  7.940
 Raman3 Fr= 1--      13.649                  2.565                 11.412
 ROA3   Fr= 1--     -18.333                 75.484                366.928
 CID3   Fr= 1--      -1.343                 29.434                 32.152
 RC180  Fr= 1--       0.232                 -0.283                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      2.2506                 6.2748                 1.7611
  Dep-P Fr= 1--      0.7465                 0.0454                 0.6614
  Dep-U Fr= 1--      0.8548                 0.0868                 0.7962
 Alpha2 Fr= 1--      0.0001                 0.1253                 0.0028
 Beta2  Fr= 1--      0.3206                 0.0908                 0.2337
 AlphaG Fr= 1--      0.0011                -0.0627                 0.0140
 Gamma2 Fr= 1--     -1.1725                 0.2025                 0.7761
 Delta2 Fr= 1--     -1.2321                 0.5165                 0.4204
 Raman1 Fr= 1--       9.002                 25.099                  7.045
 ROA1   Fr= 1--    -151.990                 35.970                 87.957
 CID1   Fr= 1--     -16.884                  1.433                 12.486
 Raman2 Fr= 1--       3.848                  1.090                  2.804
 ROA2   Fr= 1--     -18.285                  0.728                 15.262
 CID2   Fr= 1--      -4.752                  0.668                  5.442
 Raman3 Fr= 1--       7.695                  2.179                  5.609
 ROA3   Fr= 1--    -151.990                 35.970                 87.957
 CID3   Fr= 1--     -19.751                 16.505                 15.683
 RC180  Fr= 1--       0.710                 -0.826                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.8641                 2.9666                 0.0912
  Dep-P Fr= 1--      0.7499                 0.4039                 0.3125
  Dep-U Fr= 1--      0.8571                 0.5754                 0.4762
 Alpha2 Fr= 1--      0.0000                 0.0217                 0.0009
 Beta2  Fr= 1--      0.1234                 0.2845                 0.0072
 AlphaG Fr= 1--     -0.0004                -0.0131                 0.0113
 Gamma2 Fr= 1--      1.2063                 0.5540                -0.0456
 Delta2 Fr= 1--      0.3259                -0.0848                 0.0378
 Raman1 Fr= 1--       3.456                 11.866                  0.365
 ROA1   Fr= 1--     126.237                 50.475                 -3.170
 CID1   Fr= 1--      36.524                  4.254                 -8.690
 Raman2 Fr= 1--       1.481                  3.414                  0.087
 ROA2   Fr= 1--      26.345                 13.975                 -1.397
 CID2   Fr= 1--      17.787                  4.094                -16.084
 Raman3 Fr= 1--       2.962                  6.828                  0.174
 ROA3   Fr= 1--     126.237                 50.475                 -3.170
 CID3   Fr= 1--      42.614                  7.393                -18.251
 RC180  Fr= 1--       0.714                  0.151                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      4.9894                 6.8031                 3.0110
  Dep-P Fr= 1--      0.5940                 0.7249                 0.7112
  Dep-U Fr= 1--      0.7453                 0.8405                 0.8313
 Alpha2 Fr= 1--      0.0145                 0.0029                 0.0020
 Beta2  Fr= 1--      0.6197                 0.9531                 0.4172
 AlphaG Fr= 1--      0.0168                -0.0034                -0.0069
 Gamma2 Fr= 1--      1.5719                -2.0344                -0.0253
 Delta2 Fr= 1--      0.3261                -0.6048                 0.5527
 Raman1 Fr= 1--      19.957                 27.213                 12.044
 ROA1   Fr= 1--     161.339               -214.656                 15.254
 CID1   Fr= 1--       8.084                 -7.888                  1.267
 Raman2 Fr= 1--       7.437                 11.437                  5.006
 ROA2   Fr= 1--      35.116                -43.988                 -5.029
 CID2   Fr= 1--       4.722                 -3.846                 -1.005
 Raman3 Fr= 1--      14.874                 22.873                 10.012
 ROA3   Fr= 1--     161.339               -214.656                 15.254
 CID3   Fr= 1--      10.847                 -9.385                  1.524
 RC180  Fr= 1--       0.491                  0.681                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      2.9380                 3.8198                 2.2959
  Dep-P Fr= 1--      0.5282                 0.6620                 0.4699
  Dep-U Fr= 1--      0.6913                 0.7966                 0.6394
 Alpha2 Fr= 1--      0.0126                 0.0060                 0.0130
 Beta2  Fr= 1--      0.3385                 0.5072                 0.2447
 AlphaG Fr= 1--     -0.0219                 0.0066                -0.0262
 Gamma2 Fr= 1--      2.0543                 1.0721                -1.1740
 Delta2 Fr= 1--      0.6424                 0.7855                -0.0862
 Raman1 Fr= 1--      11.752                 15.279                  9.184
 ROA1   Fr= 1--     217.773                128.056               -115.466
 CID1   Fr= 1--      18.531                  8.381                -12.573
 Raman2 Fr= 1--       4.062                  6.086                  2.936
 ROA2   Fr= 1--      44.165                 19.445                -27.488
 CID2   Fr= 1--      10.872                  3.195                 -9.362
 Raman3 Fr= 1--       8.124                 12.172                  5.872
 ROA3   Fr= 1--     217.773                128.056               -115.466
 CID3   Fr= 1--      26.805                 10.521                -19.664
 RC180  Fr= 1--       0.383                  0.593                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      7.3236                 2.5978                 6.6429
  Dep-P Fr= 1--      0.7266                 0.6460                 0.6226
  Dep-U Fr= 1--      0.8417                 0.7850                 0.7674
 Alpha2 Fr= 1--      0.0029                 0.0049                 0.0154
 Beta2  Fr= 1--      1.0273                 0.3399                 0.8497
 AlphaG Fr= 1--     -0.0019                 0.0009                 0.0239
 Gamma2 Fr= 1--      0.0059                -0.1059                 3.1215
 Delta2 Fr= 1--      0.0949                 0.1898                 1.0595
 Raman1 Fr= 1--      29.295                 10.391                 26.571
 ROA1   Fr= 1--       3.606                 -4.094                333.563
 CID1   Fr= 1--       0.123                 -0.394                 12.553
 Raman2 Fr= 1--      12.328                  4.078                 10.196
 ROA2   Fr= 1--      -0.617                 -4.061                 66.439
 CID2   Fr= 1--      -0.050                 -0.996                  6.516
 Raman3 Fr= 1--      24.656                  8.157                 20.392
 ROA3   Fr= 1--       3.606                 -4.094                333.563
 CID3   Fr= 1--       0.146                 -0.502                 16.358
 RC180  Fr= 1--       0.683                  0.570                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      2.1124                 1.1660                 6.0502
  Dep-P Fr= 1--      0.7321                 0.4971                 0.7219
  Dep-U Fr= 1--      0.8453                 0.6641                 0.8385
 Alpha2 Fr= 1--      0.0006                 0.0058                 0.0029
 Beta2  Fr= 1--      0.2976                 0.1291                 0.8455
 AlphaG Fr= 1--      0.0026                -0.0113                -0.0025
 Gamma2 Fr= 1--     -0.9972                -0.3629                -3.4662
 Delta2 Fr= 1--     -1.0984                -0.2620                -1.4651
 Raman1 Fr= 1--       8.450                  4.664                 24.201
 ROA1   Fr= 1--    -130.881                -43.221               -379.636
 CID1   Fr= 1--     -15.489                 -9.267                -15.687
 Raman2 Fr= 1--       3.571                  1.549                 10.146
 ROA2   Fr= 1--     -15.146                 -6.613                -71.467
 CID2   Fr= 1--      -4.241                 -4.270                 -7.044
 Raman3 Fr= 1--       7.143                  3.098                 20.292
 ROA3   Fr= 1--    -130.881                -43.221               -379.636
 CID3   Fr= 1--     -18.323                -13.953                -18.709
 RC180  Fr= 1--       0.691                  0.328                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      2.6509                 1.3528                 5.4684
  Dep-P Fr= 1--      0.5051                 0.7499                 0.7292
  Dep-U Fr= 1--      0.6712                 0.8571                 0.8434
 Alpha2 Fr= 1--      0.0128                 0.0000                 0.0019
 Beta2  Fr= 1--      0.2965                 0.1933                 0.7687
 AlphaG Fr= 1--      0.0268                -0.0004                -0.0087
 Gamma2 Fr= 1--      1.1431                -0.5174                -0.5990
 Delta2 Fr= 1--      1.1692                -0.2632                -0.3510
 Raman1 Fr= 1--      10.604                  5.411                 21.873
 ROA1   Fr= 1--     147.151                -58.090                -68.741
 CID1   Fr= 1--      13.877                -10.735                 -3.143
 Raman2 Fr= 1--       3.558                  2.319                  9.224
 ROA2   Fr= 1--      18.081                -10.311                -11.569
 CID2   Fr= 1--       5.081                 -4.446                 -1.254
 Raman3 Fr= 1--       7.117                  4.638                 18.448
 ROA3   Fr= 1--     147.151                -58.090                -68.741
 CID3   Fr= 1--      20.677                -12.525                 -3.726
 RC180  Fr= 1--       0.342                  0.714                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      3.6151                 1.5130                 1.9327
  Dep-P Fr= 1--      0.7367                 0.7370                 0.5226
  Dep-U Fr= 1--      0.8484                 0.8486                 0.6865
 Alpha2 Fr= 1--      0.0008                 0.0003                 0.0086
 Beta2  Fr= 1--      0.5112                 0.2140                 0.2211
 AlphaG Fr= 1--     -0.0031                 0.0082                -0.0312
 Gamma2 Fr= 1--      0.8950                 0.5574                 0.2200
 Delta2 Fr= 1--      0.9710                 0.5986                 0.0205
 Raman1 Fr= 1--      14.461                  6.052                  7.731
 ROA1   Fr= 1--     116.992                 72.661                 21.770
 CID1   Fr= 1--       8.090                 12.006                  2.816
 Raman2 Fr= 1--       6.134                  2.568                  2.654
 ROA2   Fr= 1--      13.712                  8.588                  5.115
 CID2   Fr= 1--       2.235                  3.344                  1.928
 Raman3 Fr= 1--      12.268                  5.136                  5.307
 ROA3   Fr= 1--     116.992                 72.661                 21.770
 CID3   Fr= 1--       9.536                 14.148                  4.102
 RC180  Fr= 1--       0.697                  0.697                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.6534                 0.6132                 2.7409
  Dep-P Fr= 1--      0.7500                 0.1805                 0.7433
  Dep-U Fr= 1--      0.8571                 0.3059                 0.8528
 Alpha2 Fr= 1--      0.0000                 0.0088                 0.0003
 Beta2  Fr= 1--      0.0933                 0.0313                 0.3896
 AlphaG Fr= 1--     -0.0000                 0.0014                -0.0088
 Gamma2 Fr= 1--     -0.1838                -0.0685                -1.1010
 Delta2 Fr= 1--     -0.2636                -0.0647                -0.8324
 Raman1 Fr= 1--       2.614                  2.453                 10.964
 ROA1   Fr= 1--     -26.081                 -8.647               -132.330
 CID1   Fr= 1--      -9.979                 -3.526                -12.070
 Raman2 Fr= 1--       1.120                  0.375                  4.675
 ROA2   Fr= 1--      -2.302                 -1.127                -19.763
 CID2   Fr= 1--      -2.055                 -3.006                 -4.228
 Raman3 Fr= 1--       2.240                  0.750                  9.349
 ROA3   Fr= 1--     -26.081                 -8.647               -132.330
 CID3   Fr= 1--     -11.642                -11.527                -14.154
 RC180  Fr= 1--       0.714                 -0.388                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      2.0450                 5.8033                 5.6351
  Dep-P Fr= 1--      0.5347                 0.6790                 0.7500
  Dep-U Fr= 1--      0.6968                 0.8088                 0.8571
 Alpha2 Fr= 1--      0.0085                 0.0073                 0.0000
 Beta2  Fr= 1--      0.2375                 0.7823                 0.8050
 AlphaG Fr= 1--      0.0181                 0.0012                -0.0000
 Gamma2 Fr= 1--      0.6840                -0.2913                 0.0846
 Delta2 Fr= 1--     -0.0889                -0.2404                 0.1450
 Raman1 Fr= 1--       8.180                 23.213                 22.541
 ROA1   Fr= 1--      62.822                -35.658                 12.765
 CID1   Fr= 1--       7.680                 -1.536                  0.566
 Raman2 Fr= 1--       2.850                  9.388                  9.660
 ROA2   Fr= 1--      17.128                 -5.067                  0.871
 CID2   Fr= 1--       6.010                 -0.540                  0.090
 Raman3 Fr= 1--       5.700                 18.775                 19.320
 ROA3   Fr= 1--      62.822                -35.658                 12.765
 CID3   Fr= 1--      11.022                 -1.899                  0.661
 RC180  Fr= 1--       0.394                  0.618                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--     12.5885                 2.5879                 7.2608
  Dep-P Fr= 1--      0.7321                 0.6816                 0.7264
  Dep-U Fr= 1--      0.8453                 0.8107                 0.8415
 Alpha2 Fr= 1--      0.0039                 0.0031                 0.0029
 Beta2  Fr= 1--      1.7736                 0.3496                 1.0183
 AlphaG Fr= 1--      0.0093                 0.0000                 0.0075
 Gamma2 Fr= 1--      1.3022                -0.7651                 0.1888
 Delta2 Fr= 1--      0.5952                -0.0566                -0.0497
 Raman1 Fr= 1--      50.354                 10.352                 29.043
 ROA1   Fr= 1--     144.054                -75.262                 16.538
 CID1   Fr= 1--       2.861                 -7.271                  0.569
 Raman2 Fr= 1--      21.283                  4.196                 12.220
 ROA2   Fr= 1--      26.490                -17.909                  4.929
 CID2   Fr= 1--       1.245                 -4.268                  0.403
 Raman3 Fr= 1--      42.566                  8.392                 24.439
 ROA3   Fr= 1--     144.054                -75.262                 16.538
 CID3   Fr= 1--       3.384                 -8.969                  0.677
 RC180  Fr= 1--       0.691                  0.621                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      5.9894                 7.2100                 3.5830
  Dep-P Fr= 1--      0.3753                 0.2296                 0.7484
  Dep-U Fr= 1--      0.5457                 0.3734                 0.8561
 Alpha2 Fr= 1--      0.0484                 0.0904                 0.0001
 Beta2  Fr= 1--      0.5448                 0.4487                 0.5112
 AlphaG Fr= 1--     -0.0440                 0.0889                -0.0016
 Gamma2 Fr= 1--      0.0518                -1.2457                 0.0927
 Delta2 Fr= 1--      1.7544                -0.7507                 0.1317
 Raman1 Fr= 1--      23.958                 28.840                 14.332
 ROA1   Fr= 1--      61.114               -143.612                 13.115
 CID1   Fr= 1--       2.551                 -4.980                  0.915
 Raman2 Fr= 1--       6.537                  5.384                  6.135
 ROA2   Fr= 1--     -12.791                -23.892                  1.172
 CID2   Fr= 1--      -1.957                 -4.437                  0.191
 Raman3 Fr= 1--      13.075                 10.769                 12.270
 ROA3   Fr= 1--      61.114               -143.612                 13.115
 CID3   Fr= 1--       4.674                -13.336                  1.069
 RC180  Fr= 1--       0.091                 -0.253                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.6190                 4.0910                10.4877
  Dep-P Fr= 1--      0.5467                 0.5817                 0.3711
  Dep-U Fr= 1--      0.7069                 0.7355                 0.5413
 Alpha2 Fr= 1--      0.0219                 0.0129                 0.0859
 Beta2  Fr= 1--      0.6620                 0.5015                 0.9461
 AlphaG Fr= 1--      0.0012                -0.0125                 0.0233
 Gamma2 Fr= 1--      0.0373                -0.3822                 0.9570
 Delta2 Fr= 1--     -0.1240                -0.7114                 0.2916
 Raman1 Fr= 1--      22.476                 16.364                 41.951
 ROA1   Fr= 1--      -0.388                -59.459                101.206
 CID1   Fr= 1--      -0.017                 -3.634                  2.412
 Raman2 Fr= 1--       7.944                  6.018                 11.354
 ROA2   Fr= 1--       1.886                 -3.482                 20.635
 CID2   Fr= 1--       0.237                 -0.579                  1.818
 Raman3 Fr= 1--      15.889                 12.036                 22.707
 ROA3   Fr= 1--      -0.388                -59.459                101.206
 CID3   Fr= 1--      -0.024                 -4.940                  4.457
 RC180  Fr= 1--       0.414                  0.471                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      7.2873                91.8170                 7.1094
  Dep-P Fr= 1--      0.2357                 0.0178                 0.7326
  Dep-U Fr= 1--      0.3815                 0.0349                 0.8457
 Alpha2 Fr= 1--      0.0899                 1.9573                 0.0021
 Beta2  Fr= 1--      0.4633                 0.5339                 1.0021
 AlphaG Fr= 1--     -0.0424                -0.1538                 0.0063
 Gamma2 Fr= 1--     -0.4819                -0.6763                 0.4868
 Delta2 Fr= 1--     -0.0003                -1.6156                 0.4470
 Raman1 Fr= 1--      29.149                367.268                 28.438
 ROA1   Fr= 1--     -46.274               -116.622                 61.034
 CID1   Fr= 1--      -1.587                 -0.318                  2.146
 Raman2 Fr= 1--       5.560                  6.407                 12.025
 ROA2   Fr= 1--     -11.564                 -3.306                  8.106
 CID2   Fr= 1--      -2.080                 -0.516                  0.674
 Raman3 Fr= 1--      11.120                 12.814                 24.049
 ROA3   Fr= 1--     -46.274               -116.622                 61.034
 CID3   Fr= 1--      -4.161                 -9.101                  2.538
 RC180  Fr= 1--      -0.237                 -0.930                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    337.8000               179.2660                96.8529
  Dep-P Fr= 1--      0.0329                 0.0049                 0.2180
  Dep-U Fr= 1--      0.0638                 0.0098                 0.3579
 Alpha2 Fr= 1--      6.9481                 3.9381                 1.2535
 Beta2  Fr= 1--      3.5907                 0.2928                 5.7777
 AlphaG Fr= 1--     -0.1443                 0.0269                 0.0565
 Gamma2 Fr= 1--     -0.0399                 0.0687               -15.3048
 Delta2 Fr= 1--      2.4490                -0.2369                -8.9215
 Raman1 Fr= 1--    1351.200                717.064                387.411
 ROA1   Fr= 1--      74.537                 -0.990              -1754.745
 CID1   Fr= 1--       0.055                 -0.001                 -4.529
 Raman2 Fr= 1--      43.089                  3.514                 69.333
 ROA2   Fr= 1--     -20.550                  3.543               -295.943
 CID2   Fr= 1--      -0.477                  1.008                 -4.268
 Raman3 Fr= 1--      86.177                  7.028                138.666
 ROA3   Fr= 1--      74.537                 -0.990              -1754.745
 CID3   Fr= 1--       0.865                 -0.141                -12.654
 RC180  Fr= 1--      -0.872                 -0.980                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    123.1221                68.8927                 4.2945
  Dep-P Fr= 1--      0.0470                 0.1233                 0.5972
  Dep-U Fr= 1--      0.0898                 0.2196                 0.7478
 Alpha2 Fr= 1--      2.4494                 1.1387                 0.0122
 Beta2  Fr= 1--      1.8425                 2.5214                 0.5352
 AlphaG Fr= 1--      0.1797                 0.0513                 0.0589
 Gamma2 Fr= 1--     12.7569                 8.6591                -6.1008
 Delta2 Fr= 1--      8.4505                 6.3799                -4.2609
 Raman1 Fr= 1--     492.488                275.571                 17.178
 ROA1   Fr= 1--    1495.074               1035.430               -722.030
 CID1   Fr= 1--       3.036                  3.757                -42.033
 Raman2 Fr= 1--      22.110                 30.257                  6.423
 ROA2   Fr= 1--     238.560                156.779               -112.333
 CID2   Fr= 1--      10.790                  5.182                -17.490
 Raman3 Fr= 1--      44.220                 60.513                 12.845
 ROA3   Fr= 1--    1495.074               1035.430               -722.030
 CID3   Fr= 1--      33.810                 17.111                -56.210
 RC180  Fr= 1--      -0.820                 -0.561                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    189.4917                31.7662                94.4521
  Dep-P Fr= 1--      0.0473                 0.7438                 0.4870
  Dep-U Fr= 1--      0.0903                 0.8531                 0.6550
 Alpha2 Fr= 1--      3.7675                 0.0034                 0.4950
 Beta2  Fr= 1--      2.8504                 4.5164                10.3109
 AlphaG Fr= 1--     -0.2251                -0.0003                -0.4170
 Gamma2 Fr= 1--     -0.7603                13.9367                 2.6875
 Delta2 Fr= 1--     -0.6518                 2.1589                 5.2651
 Raman1 Fr= 1--     757.967                127.065                377.808
 ROA1   Fr= 1--     -93.845               1407.010                426.488
 CID1   Fr= 1--      -0.124                 11.073                  1.129
 Raman2 Fr= 1--      34.205                 54.197                123.730
 ROA2   Fr= 1--     -13.032                317.211                 22.380
 CID2   Fr= 1--      -0.381                  5.853                  0.181
 Raman3 Fr= 1--      68.410                108.395                247.461
 ROA3   Fr= 1--     -93.845               1407.010                426.488
 CID3   Fr= 1--      -1.372                 12.980                  1.723
 RC180  Fr= 1--      -0.819                  0.706                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    154.6889                78.3102                57.7253
  Dep-P Fr= 1--      0.6870                 0.6557                 0.3347
  Dep-U Fr= 1--      0.8144                 0.7921                 0.5015
 Alpha2 Fr= 1--      0.1713                 0.1321                 0.5322
 Beta2  Fr= 1--     20.9974                10.3376                 4.8249
 AlphaG Fr= 1--     -0.1031                 0.0937                 0.5353
 Gamma2 Fr= 1--    -24.2897                19.9906               -20.5712
 Delta2 Fr= 1--     -9.9090                 9.9377               -13.2203
 Raman1 Fr= 1--     618.756                313.241                230.901
 ROA1   Fr= 1--   -2648.900               2237.107              -2397.887
 CID1   Fr= 1--      -4.281                  7.142                -10.385
 Raman2 Fr= 1--     251.969                124.052                 57.899
 ROA2   Fr= 1--    -503.681                400.273               -387.947
 CID2   Fr= 1--      -1.999                  3.227                 -6.700
 Raman3 Fr= 1--     503.938                248.103                115.798
 ROA3   Fr= 1--   -2648.900               2237.107              -2397.887
 CID3   Fr= 1--      -5.256                  9.017                -20.707
 RC180  Fr= 1--       0.629                  0.584                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     50.6394                63.5062                65.2614
  Dep-P Fr= 1--      0.7476                 0.3549                 0.5265
  Dep-U Fr= 1--      0.8556                 0.5238                 0.6898
 Alpha2 Fr= 1--      0.0021                 0.5488                 0.2832
 Beta2  Fr= 1--      7.2210                 5.5445                 7.5027
 AlphaG Fr= 1--      0.0048                 0.8821                 0.0224
 Gamma2 Fr= 1--      5.2084                 6.1573                 8.3238
 Delta2 Fr= 1--      4.2306                 2.2704                 2.9317
 Raman1 Fr= 1--     202.558                254.025                261.045
 ROA1   Fr= 1--     635.383                663.756                892.900
 CID1   Fr= 1--       3.137                  2.613                  3.420
 Raman2 Fr= 1--      86.651                 66.534                 90.033
 ROA2   Fr= 1--      91.156                129.613                176.318
 CID2   Fr= 1--       1.052                  1.948                  1.958
 Raman3 Fr= 1--     173.303                133.067                180.065
 ROA3   Fr= 1--     635.383                663.756                892.900
 CID3   Fr= 1--       3.666                  4.988                  4.959
 RC180  Fr= 1--       0.711                  0.048                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     56.9141                57.4421                77.6693
  Dep-P Fr= 1--      0.3900                 0.6237                 0.6015
  Dep-U Fr= 1--      0.5611                 0.7682                 0.7511
 Alpha2 Fr= 1--      0.4368                 0.1324                 0.2135
 Beta2  Fr= 1--      5.3225                 7.3547                 9.7233
 AlphaG Fr= 1--      0.3662                 0.0358                -0.0491
 Gamma2 Fr= 1--     -2.6838                 2.4311                -0.9616
 Delta2 Fr= 1--      0.2606                -0.9925                -0.9306
 Raman1 Fr= 1--     227.656                229.768                310.677
 ROA1   Fr= 1--    -249.302                201.627               -122.092
 CID1   Fr= 1--      -1.095                  0.878                 -0.393
 Raman2 Fr= 1--      63.870                 88.257                116.680
 ROA2   Fr= 1--     -66.495                 66.287                -15.634
 CID2   Fr= 1--      -1.041                  0.751                 -0.134
 Raman3 Fr= 1--     127.741                176.513                233.360
 ROA3   Fr= 1--    -249.302                201.627               -122.092
 CID3   Fr= 1--      -1.952                  1.142                 -0.523
 RC180  Fr= 1--       0.122                  0.536                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.165719D+03 -0.209761D+01 -0.765993D+00
      2  -0.209761D+01  0.139964D+03 -0.457057D+00
      3  -0.765993D+00 -0.457057D+00  0.134183D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.233956D+00  0.999404D+00  0.809778D+01
      2  -0.205063D+00 -0.446110D+01 -0.506903D+02
      3  -0.550585D+01  0.239285D+02  0.359551D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.145544D+02  0.455570D+01 -0.488391D+00
      2   0.119512D+02  0.437275D+01 -0.113283D+02
      3   0.260322D+01 -0.892845D+01  0.118167D+02
      4  -0.110125D+02 -0.546445D+02 -0.130630D+02
      5   0.654236D+01 -0.119828D+02 -0.106424D+03
      6  -0.509187D+01  0.105177D+01 -0.331784D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308761D+01  0.306097D+01  0.387937D+01  0.257170D+01  0.656777D+00
      2   0.306097D+01  0.105028D+01  0.800873D-01  0.656777D+00 -0.320396D+01
      3   0.387937D+01  0.800873D-01 -0.300946D+01  0.105036D+01 -0.260386D+00
                 6             7             8             9            10 
      1   0.105036D+01  0.242033D+01  0.167205D+00 -0.200690D+01 -0.258646D+01
      2  -0.260386D+00  0.167205D+00  0.328619D+00  0.186996D+01  0.424935D+01
      3   0.346104D+01 -0.200690D+01  0.186996D+01  0.346796D+01 -0.140112D+01
                11            12            13            14            15 
      1   0.424935D+01 -0.140112D+01  0.346876D+01  0.616736D-01 -0.143153D+01
      2   0.312914D-01 -0.145642D+01  0.616736D-01  0.431093D+00 -0.322691D+01
      3  -0.145642D+01  0.196183D+01 -0.143153D+01 -0.322691D+01 -0.271977D+01
                16            17            18            19            20 
      1  -0.793872D+00 -0.162317D+01  0.111704D+01 -0.227737D+01 -0.275947D+01
      2  -0.162317D+01 -0.289585D+01 -0.131469D+01 -0.275947D+01 -0.367923D+00
      3   0.111704D+01 -0.131469D+01  0.113482D+01 -0.251883D+01  0.113219D+01
                21            22            23            24            25 
      1  -0.251883D+01 -0.321985D+01 -0.710865D-01  0.185474D+00 -0.132187D+01
      2   0.113219D+01 -0.710865D-01  0.420976D+01  0.688558D+00 -0.561002D+00
      3  -0.262777D+01  0.185474D+00  0.688558D+00  0.204674D+01  0.379756D+01
                26            27            28            29            30 
      1  -0.561002D+00  0.379756D+01  0.860597D+00  0.189537D+01  0.174952D+01
      2   0.359333D+00 -0.169553D+01  0.189537D+01 -0.137559D+00 -0.490992D-01
      3  -0.169553D+01 -0.691144D+01  0.174952D+01 -0.490992D-01 -0.299189D+01
                31            32            33            34            35 
      1   0.238966D+01 -0.631336D+00 -0.965706D+00  0.340657D+00  0.112307D+00
      2  -0.631336D+00 -0.534166D+01  0.180083D+01  0.112307D+00  0.580410D+00
      3  -0.965706D+00  0.180083D+01  0.554067D+00 -0.306851D+01  0.129061D+01
                36            37            38            39            40 
      1  -0.306851D+01 -0.433349D+01  0.151174D+01 -0.149729D+01  0.269428D+01
      2   0.129061D+01  0.151174D+01  0.917793D+00 -0.994600D+00 -0.263841D+00
      3   0.138538D+01 -0.149729D+01 -0.994600D+00  0.280977D+01 -0.794154D+00
                41            42            43            44            45 
      1  -0.263841D+00 -0.794154D+00  0.465123D+00 -0.914643D+00  0.164711D+01
      2  -0.767281D+00 -0.268824D+01 -0.914643D+00 -0.153403D+01 -0.187239D+01
      3  -0.268824D+01 -0.180462D+01  0.164711D+01 -0.187239D+01  0.205769D+01
                46            47            48            49            50 
      1   0.200106D+01 -0.476681D+01  0.282934D+01 -0.625262D+01  0.968826D+00
      2  -0.476681D+01  0.115981D+01  0.932259D+00  0.968826D+00  0.533697D+00
      3   0.282934D+01  0.932259D+00 -0.692781D+00  0.721312D+00  0.373791D+01
                51            52            53            54            55 
      1   0.721312D+00  0.357969D+01 -0.200329D-02 -0.171703D+00 -0.584732D+01
      2   0.373791D+01 -0.200329D-02  0.436727D+01  0.189667D+01 -0.282325D+01
      3   0.212289D+01 -0.171703D+00  0.189667D+01 -0.399076D+01 -0.281692D+01
                56            57            58            59            60 
      1  -0.282325D+01 -0.281692D+01 -0.226252D+01 -0.202426D+01 -0.126016D+01
      2  -0.254196D+01 -0.161310D+01 -0.202426D+01 -0.212727D+01 -0.124838D+01
      3  -0.161310D+01 -0.216919D+01 -0.126016D+01 -0.124838D+01 -0.172052D+01
                61            62            63            64            65 
      1  -0.185351D+01 -0.917378D+00 -0.178558D+01  0.206223D+01 -0.132896D+01
      2  -0.917378D+00 -0.100155D+01 -0.119062D+01 -0.132896D+01  0.142144D+01
      3  -0.178558D+01 -0.119062D+01 -0.274616D+01 -0.244190D+01  0.122741D+01
                66            67            68            69            70 
      1  -0.244190D+01 -0.959408D+00  0.896761D+00 -0.213983D+00 -0.195769D+01
      2   0.122741D+01  0.896761D+00 -0.128694D+01 -0.974184D+00  0.809231D+00
      3   0.420181D+01 -0.213983D+00 -0.974184D+00 -0.337369D+01  0.182393D+01
                71            72            73            74            75 
      1   0.809231D+00  0.182393D+01  0.557619D+01 -0.299207D+01  0.262940D+00
      2  -0.183486D+01 -0.202323D+01 -0.299207D+01  0.337572D+01  0.273084D+00
      3  -0.202323D+01 -0.769501D+01  0.262940D+00  0.273084D+00  0.826924D+00
                76            77            78            79            80 
      1  -0.217076D+01  0.223200D+01  0.186653D+00  0.881952D-01  0.220853D+00
      2   0.223200D+01 -0.340104D+01  0.268797D+00  0.220853D+00  0.210914D+00
      3   0.186653D+00  0.268797D+00 -0.445952D+00  0.683658D+00 -0.608207D+00
                81            82            83            84            85 
      1   0.683658D+00 -0.251756D+01 -0.239115D+01  0.821660D+00 -0.205468D+01
      2  -0.608207D+00 -0.239115D+01 -0.308185D+01  0.105943D+01 -0.218953D+01
      3  -0.201672D+00  0.821660D+00  0.105943D+01 -0.171328D+01  0.645438D+00
                86            87            88            89            90 
      1  -0.218953D+01  0.645438D+00  0.958516D+00  0.996823D+00 -0.945192D+00
      2  -0.536854D+01  0.178051D+01  0.996823D+00  0.232906D+01 -0.142835D+01
      3   0.178051D+01 -0.118267D+01 -0.945192D+00 -0.142835D+01  0.159777D+01
                91            92            93            94            95 
      1  -0.955351D+00  0.533480D+01 -0.872556D+00  0.648425D+01 -0.428771D+00
      2   0.533480D+01 -0.123927D+01 -0.203526D+00 -0.428771D+00 -0.372662D+01
      3  -0.872556D+00 -0.203526D+00 -0.106794D+01  0.351090D+00 -0.282143D+01
                96            97            98            99           100 
      1   0.351090D+00 -0.118895D+01  0.428813D+00 -0.311286D+01 -0.290660D+01
      2  -0.282143D+01  0.428813D+00 -0.266893D+01  0.144263D+00  0.145060D+01
      3  -0.687590D+00 -0.311286D+01  0.144263D+00  0.802924D+01 -0.150105D+01
               101           102           103           104           105 
      1   0.145060D+01 -0.150105D+01  0.158865D+01 -0.120950D+01  0.519312D+00
      2  -0.101701D+01  0.193468D+00 -0.120950D+01  0.179145D+01 -0.167990D+01
      3   0.193468D+00  0.796721D-01  0.519312D+00 -0.167990D+01  0.483405D+00
               106           107           108           109           110 
      1  -0.181443D+01  0.703596D+00 -0.241999D+01  0.437134D+00  0.932572D+00
      2   0.703596D+00 -0.158772D+01  0.172745D+01  0.932572D+00  0.511622D+00
      3  -0.241999D+01  0.172745D+01 -0.402517D+01 -0.802563D-01 -0.387658D+00
               111           112           113           114           115 
      1  -0.802563D-01  0.147717D+01  0.874295D+00 -0.105304D+00 -0.269151D+00
      2  -0.387658D+00  0.874295D+00  0.808434D+01 -0.221320D+01  0.433589D-01
      3   0.105321D+01 -0.105304D+00 -0.221320D+01  0.197813D+01 -0.761524D-01
               116           117           118           119           120 
      1   0.433589D-01 -0.761524D-01  0.410758D+01 -0.734692D+00 -0.173794D+01
      2  -0.126468D+01  0.163645D+01 -0.734692D+00  0.727591D+00 -0.400629D+00
      3   0.163645D+01 -0.227031D+01 -0.173794D+01 -0.400629D+00  0.457596D+01
               121           122           123           124           125 
      1  -0.152621D+01  0.508270D+00  0.113414D+01 -0.278685D+01  0.145744D+00
      2   0.508270D+00  0.697987D-01 -0.126613D+01  0.145744D+00 -0.958541D+00
      3   0.113414D+01 -0.126613D+01 -0.808861D+00  0.256672D+01 -0.285080D+00
               126           127           128           129           130 
      1   0.256672D+01  0.205218D+01  0.898063D+00  0.981202D+00  0.224413D+01
      2  -0.285080D+00  0.898063D+00  0.170740D+00  0.373358D+00  0.181311D+00
      3  -0.538254D+01  0.981202D+00  0.373358D+00  0.186912D+00  0.559530D+00
               131           132           133           134           135 
      1   0.181311D+00  0.559530D+00  0.143442D+01  0.415368D+00  0.383971D+00
      2   0.312471D+01  0.167567D+01  0.415368D+00  0.178283D+01  0.159795D+01
      3   0.167567D+01  0.229696D+01  0.383971D+00  0.159795D+01  0.271582D+01
               136           137           138           139           140 
      1   0.279346D+00 -0.206513D+01  0.580459D+00 -0.551556D+01  0.442081D+00
      2  -0.206513D+01 -0.140228D+01 -0.227290D+00  0.442081D+00 -0.199556D+01
      3   0.580459D+00 -0.227290D+00 -0.156733D+01 -0.158446D-01  0.626326D+00
               141           142           143           144           145 
      1  -0.158446D-01  0.601272D+00 -0.220975D+00 -0.406558D+00 -0.346433D+00
      2   0.626326D+00 -0.220975D+00  0.217474D+00 -0.596647D+00  0.484419D+01
      3  -0.366488D+00 -0.406558D+00 -0.596647D+00  0.437279D+00 -0.398714D+01
               146           147           148           149           150 
      1   0.484419D+01 -0.398714D+01  0.489900D+01 -0.271467D+00 -0.170435D+00
      2  -0.411505D+00  0.129230D+00 -0.271467D+00 -0.136860D+01 -0.427399D+01
      3   0.129230D+00 -0.113933D+01 -0.170435D+00 -0.427399D+01 -0.160441D+01
               151           152           153           154           155 
      1  -0.310001D+01 -0.482965D-01  0.109557D+00 -0.110332D+00 -0.387529D+01
      2  -0.482965D-01 -0.335817D+01 -0.174144D+01 -0.387529D+01  0.358933D+00
      3   0.109557D+00 -0.174144D+01  0.283940D+01  0.166188D+01 -0.302519D+00
               156           157           158           159           160 
      1   0.166188D+01 -0.489320D+01  0.112983D+01 -0.100397D+01  0.247391D+01
      2  -0.302519D+00  0.112983D+01  0.423925D+01  0.239532D+01 -0.934512D+00
      3   0.176838D+01 -0.100397D+01  0.239532D+01 -0.107062D+01  0.449476D+01
               161           162           163           164           165 
      1  -0.934512D+00  0.449476D+01 -0.159609D+00 -0.512824D+01  0.139515D+01
      2   0.242774D+01 -0.892660D+00 -0.512824D+01  0.477483D+00 -0.778257D+00
      3  -0.892660D+00 -0.408726D+01  0.139515D+01 -0.778257D+00  0.173632D+01
               166           167           168           169           170 
      1  -0.485853D+01  0.821012D-01 -0.125038D+01  0.230314D+01 -0.142549D+01
      2   0.821012D-01  0.215857D+01  0.296946D+01 -0.142549D+01  0.330431D+01
      3  -0.125038D+01  0.296946D+01 -0.830495D+00  0.377358D+01 -0.198946D+01
               171           172           173           174           175 
      1   0.377358D+01  0.481591D+01 -0.260878D+01  0.299694D+01 -0.266104D+01
      2  -0.198946D+01 -0.260878D+01  0.212796D+01 -0.175132D+01  0.178759D+01
      3  -0.346431D+01  0.299694D+01 -0.175132D+01  0.401308D+01 -0.123130D+01
               176           177           178           179           180 
      1   0.178759D+01 -0.123130D+01  0.160820D+01 -0.729150D+00  0.178157D+01
      2  -0.236323D+01  0.213576D+01 -0.729150D+00  0.116351D+01 -0.123471D+01
      3   0.213576D+01 -0.209774D+01  0.178157D+01 -0.123471D+01  0.236329D+01
               181           182           183           184           185 
      1  -0.420614D+01 -0.229610D+01  0.229596D+01 -0.246480D+01 -0.159969D+01
      2  -0.229610D+01 -0.189946D+01  0.143622D+01 -0.159969D+01 -0.221291D+01
      3   0.229596D+01  0.143622D+01 -0.314857D+01  0.100132D+01  0.199618D+01
               186           187           188           189           190 
      1   0.100132D+01  0.166133D+01  0.734067D+00 -0.162666D+01  0.144282D+00
      2   0.199618D+01  0.734067D+00  0.113128D+01 -0.104526D+01  0.277206D+00
      3  -0.203725D+01 -0.162666D+01 -0.104526D+01  0.209572D+01  0.107956D+01
               191           192           193           194           195 
      1   0.277206D+00  0.107956D+01  0.677770D+00  0.354465D-01  0.251023D+00
      2   0.973301D-01  0.163871D+00  0.354465D-01  0.407744D+01  0.268991D+01
      3   0.163871D+00  0.200314D+00  0.251023D+00  0.268991D+01  0.440500D+01
               196           197           198           199           200 
      1   0.767392D+00  0.985208D-01 -0.394372D-01 -0.449819D+00 -0.987978D+00
      2   0.985208D-01  0.193558D+01  0.240636D+01 -0.987978D+00 -0.927703D+00
      3  -0.394372D-01  0.240636D+01  0.374359D+01 -0.518259D+00 -0.972669D-01
               201           202           203           204           205 
      1  -0.518259D+00 -0.210326D+01 -0.178189D+01  0.275445D+00 -0.114181D+01
      2  -0.972669D-01 -0.178189D+01 -0.603003D+01 -0.131408D+01 -0.203161D-01
      3  -0.178081D+00  0.275445D+00 -0.131408D+01 -0.496718D+00 -0.970177D+00
               206           207           208           209           210 
      1  -0.203161D-01 -0.970177D+00 -0.725876D+01  0.190420D+01 -0.175284D+01
      2  -0.129886D+01 -0.585761D+00  0.190420D+01 -0.108849D+01  0.201715D+00
      3  -0.585761D+00 -0.113779D+01 -0.175284D+01  0.201715D+00 -0.583689D+00
               211           212           213           214           215 
      1   0.393746D+01 -0.185532D+01  0.836755D+00 -0.399841D+01  0.930264D+00
      2  -0.185532D+01  0.130652D+01 -0.879829D+00  0.930264D+00 -0.113897D+01
      3   0.836755D+00 -0.879829D+00  0.858510D+00 -0.249724D+01  0.796197D+00
               216           217           218           219           220 
      1  -0.249724D+01 -0.257816D+01  0.365229D+00  0.154486D+01  0.857588D+00
      2   0.796197D+00  0.365229D+00 -0.403162D+00  0.311777D+00 -0.745800D+00
      3  -0.148052D+01  0.154486D+01  0.311777D+00 -0.247344D+01  0.970486D-01
               221           222           223           224           225 
      1  -0.745800D+00  0.970486D-01  0.357731D+01  0.227698D+00 -0.353010D+01
      2  -0.234427D+00  0.617481D+00  0.227698D+00  0.852063D+00 -0.562385D-01
      3   0.617481D+00  0.533399D+00 -0.353010D+01 -0.562385D-01  0.678813D+01
               226           227           228           229           230 
      1   0.396702D+01  0.200127D+01 -0.578209D+00  0.208365D+01  0.185975D+01
      2   0.200127D+01  0.291372D+01  0.446862D+00  0.185975D+01  0.339593D+01
      3  -0.578209D+00  0.446862D+00  0.399211D+00 -0.314879D-01 -0.749102D-01
               231           232           233           234           235 
      1  -0.314879D-01 -0.802540D+00  0.331358D+00 -0.151884D+00 -0.123754D+01
      2  -0.749102D-01  0.331358D+00 -0.741964D+00  0.108228D+01  0.105785D+01
      3   0.311622D+00 -0.151884D+00  0.108228D+01 -0.971565D+00  0.113634D+01
               236           237           238           239           240 
      1   0.105785D+01  0.113634D+01  0.494365D+00 -0.432463D+00  0.773872D-01
      2  -0.710878D+00 -0.331998D+00 -0.432463D+00  0.424172D+00  0.811525D+00
      3  -0.331998D+00 -0.181396D+01  0.773872D-01  0.811525D+00  0.996583D+00
               241           242           243           244           245 
      1   0.164173D+01 -0.817183D+00 -0.218653D+01 -0.488543D+01  0.366746D+01
      2  -0.817183D+00  0.208807D+01  0.215203D+01  0.366746D+01 -0.358477D+01
      3  -0.218653D+01  0.215203D+01  0.762530D+01 -0.967970D+00  0.551774D+00
               246           247           248           249           250 
      1  -0.967970D+00  0.269943D+01 -0.270829D+01  0.658697D+00 -0.231960D+01
      2   0.551774D+00 -0.270829D+01  0.387751D+01 -0.118580D+01  0.169424D+01
      3  -0.678656D+00  0.658697D+00 -0.118580D+01  0.661471D+00 -0.174879D+01
               251           252           253           254           255 
      1   0.169424D+01 -0.174879D+01  0.305047D+01  0.188778D+01 -0.501889D+00
      2  -0.262496D+01  0.148864D+01  0.188778D+01  0.855171D+00 -0.600251D-03
      3   0.148864D+01 -0.137050D+01 -0.501889D+00 -0.600251D-03  0.402719D+00
               256           257           258           259           260 
      1  -0.126470D+00 -0.230875D+01 -0.116374D+00 -0.285139D+00  0.191349D+00
      2  -0.230875D+01 -0.427759D+01  0.301960D+00  0.191349D+00  0.362270D+00
      3  -0.116374D+00  0.301960D+00 -0.335596D+00  0.794559D+00 -0.852119D+00
               261           262           263           264           265 
      1   0.794559D+00 -0.214479D+01 -0.440920D+01  0.369009D+00 -0.624219D+01
      2  -0.852119D+00 -0.440920D+01  0.187933D+00  0.164343D+00 -0.994089D+00
      3   0.380140D+00  0.369009D+00  0.164343D+00  0.408494D+00  0.175678D+00
               266           267           268           269           270 
      1  -0.994089D+00  0.175678D+00  0.683937D+00  0.269273D+00 -0.111948D+01
      2   0.278013D+01  0.450470D+00  0.269273D+00  0.583490D+00  0.468782D+01
      3   0.450470D+00  0.410865D+01 -0.111948D+01  0.468782D+01 -0.119199D+01
               271           272           273           274           275 
      1   0.128264D+01  0.229870D+01 -0.266109D+00  0.742152D+01  0.335619D+01
      2   0.229870D+01  0.121062D+01  0.739080D-02  0.335619D+01  0.989182D+01
      3  -0.266109D+00  0.739080D-02  0.143554D+00  0.815493D-01 -0.506990D+00
               276           277           278           279           280 
      1   0.815493D-01 -0.672857D+00 -0.765160D-01  0.854366D+00  0.957987D+00
      2  -0.506990D+00 -0.765160D-01 -0.645994D+00  0.259994D+01 -0.140680D+00
      3   0.165667D+01  0.854366D+00  0.259994D+01 -0.121932D+01  0.914636D+00
               281           282           283           284           285 
      1  -0.140680D+00  0.914636D+00 -0.134373D+01  0.133190D+01 -0.593881D+00
      2  -0.308864D-01 -0.762241D-01  0.133190D+01 -0.352523D+01  0.191549D+01
      3  -0.762241D-01  0.367183D-01 -0.593881D+00  0.191549D+01 -0.259215D+01
               286           287           288           289           290 
      1   0.258076D+01 -0.111872D+01  0.157204D+01  0.931247D+01  0.189058D+01
      2  -0.111872D+01  0.259000D+01 -0.299631D+01  0.189058D+01  0.138466D+01
      3   0.157204D+01 -0.299631D+01  0.514438D+01 -0.240642D+00 -0.334332D-01
               291           292           293           294           295 
      1  -0.240642D+00  0.429560D+01  0.162926D+01 -0.516645D-01 -0.560677D+00
      2  -0.334332D-01  0.162926D+01  0.141248D+01 -0.135999D+00 -0.696983D-01
      3   0.106962D+01 -0.516645D-01 -0.135999D+00  0.328688D+00  0.134462D+01
               296           297           298           299           300 
      1  -0.696983D-01  0.134462D+01  0.806439D+00 -0.220129D+00 -0.817900D+00
      2  -0.182131D+00 -0.113728D+00 -0.220129D+00 -0.135398D+00  0.194717D-01
      3  -0.113728D+00 -0.187615D-01 -0.817900D+00  0.194717D-01 -0.191396D-01
               301           302           303           304           305 
      1  -0.163016D+01  0.148203D+01  0.427973D+00 -0.231854D+01  0.958979D+00
      2   0.148203D+01 -0.457778D+01 -0.211180D+01  0.958979D+00 -0.287701D+01
      3   0.427973D+00 -0.211180D+01 -0.262869D+01  0.111871D+01 -0.285420D+01
               306 
      1   0.111871D+01
      2  -0.285420D+01
      3  -0.364086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.299526D+01 -0.127800D+01 -0.728963D+01 -0.161913D+01  0.102326D+02
      2   0.179549D+01  0.861252D+01  0.159798D+02  0.538167D+01  0.236996D+01
      3  -0.575383D+00 -0.627027D+01 -0.645049D+01 -0.184484D+01 -0.773756D+01
                 6             7             8             9            10 
      1   0.253914D+01 -0.682406D+01  0.874255D+01 -0.997941D+01 -0.111418D+01
      2  -0.365674D+01  0.550701D+01 -0.118925D+01 -0.162355D+02  0.185904D+01
      3  -0.475217D+00 -0.345404D+01 -0.314452D+00  0.811081D+01  0.846677D+01
                11            12            13            14            15 
      1  -0.498111D+01  0.562175D+01 -0.515970D+01 -0.839415D+01 -0.100986D+02
      2  -0.552528D+00  0.276167D+01 -0.276189D+00  0.209621D+01  0.196941D+01
      3  -0.140298D+02  0.137655D+01 -0.743876D+01  0.193427D+00  0.295715D+01
                16            17            18            19            20 
      1   0.408261D+01 -0.247292D+01  0.718987D+01  0.829869D+01 -0.749532D+00
      2  -0.158390D+01  0.733754D+00  0.146743D+01  0.138412D+00 -0.930346D+01
      3  -0.216224D-01  0.232532D+01 -0.502002D+01 -0.632694D+01 -0.562760D+01
                21            22            23            24            25 
      1   0.429796D+01  0.689687D+00 -0.897724D+01 -0.786059D+01  0.109763D+01
      2   0.126648D+02 -0.811616D+01  0.490011D+00 -0.872980D+01 -0.864117D+01
      3   0.831309D+00  0.185818D+01  0.687263D+01 -0.545841D+00 -0.128561D+01
                26            27            28            29            30 
      1   0.506946D+00  0.988372D+01 -0.822705D+01  0.184638D-01  0.418754D+01
      2  -0.865568D+00  0.254437D+02  0.348500D+01  0.427349D+01  0.371586D+01
      3   0.258199D+00 -0.295805D+00  0.221700D+01  0.181353D+01  0.410836D+01
                31            32            33            34            35 
      1  -0.122502D-01  0.982247D+01 -0.731174D+01  0.547856D+01 -0.694363D+00
      2   0.855447D+01 -0.264499D+01  0.395933D+01 -0.310180D+01  0.127006D+01
      3   0.868309D+01  0.261485D+01 -0.647237D+00  0.350930D+01 -0.368733D+00
                36            37            38            39            40 
      1  -0.271051D+01  0.111568D+01  0.101238D+01 -0.198823D+01 -0.663351D+00
      2  -0.117138D+02  0.419555D+01 -0.281870D+01  0.244031D+01 -0.519333D+01
      3  -0.518421D+01 -0.187563D+01  0.339776D+01  0.977142D+00  0.593916D+01
                41            42            43            44            45 
      1   0.145453D+01 -0.246020D+01 -0.448646D+01  0.156969D+01 -0.435255D+01
      2  -0.825642D+00 -0.415103D+01 -0.492614D+01 -0.198061D+01  0.750924D+00
      3   0.987267D+00  0.742306D+00 -0.665854D+00 -0.898709D-01  0.103390D+01
                46            47            48            49            50 
      1  -0.282467D+01  0.488576D+00  0.255354D+00  0.165357D+01  0.411497D+01
      2  -0.119420D+01  0.359664D+01  0.309629D+01  0.403351D+01 -0.292105D+01
      3  -0.294844D+01  0.606818D+00 -0.129829D+01  0.824334D+01 -0.160196D+01
                51            52            53            54            55 
      1   0.146703D+01  0.366423D+00  0.987122D+01  0.120582D+01  0.223922D+01
      2  -0.152786D+01 -0.877872D+01 -0.726249D+00  0.296704D+01 -0.104079D+02
      3   0.154797D+01 -0.183391D+01  0.380905D+01  0.149948D+01  0.695661D+01
                56            57            58            59            60 
      1   0.457738D+01 -0.141472D+01  0.302327D+01  0.239447D+01 -0.105691D+01
      2  -0.335542D+01 -0.771724D+00 -0.355646D+01 -0.291958D+01  0.814585D+00
      3  -0.158264D+01  0.190670D+01  0.225843D+01 -0.815946D+00  0.382035D-01
                61            62            63            64            65 
      1  -0.243408D+00  0.981317D+00  0.435444D+00 -0.101905D+01 -0.256897D+01
      2  -0.202087D+01 -0.536408D+00  0.215662D+01  0.934391D+01 -0.423671D+01
      3   0.167925D+01 -0.630719D+00  0.385601D+00 -0.633030D+01  0.225448D+01
                66            67            68            69            70 
      1   0.408919D+01 -0.413055D+00 -0.357442D+00 -0.211990D+00  0.272972D+01
      2  -0.102114D+02 -0.115923D+01  0.255369D+01  0.669224D+01 -0.841094D+01
      3   0.575070D+01  0.360340D+01 -0.230542D+01 -0.235527D+01  0.478019D+01
                71            72            73            74            75 
      1   0.252365D+01 -0.452103D+01  0.132821D+01  0.384948D+00  0.367387D+01
      2   0.365095D+01  0.156471D+02  0.445368D+00 -0.339470D+00  0.123791D+01
      3  -0.274043D+01 -0.676096D+01 -0.189442D+02  0.737865D+01 -0.760005D+00
                76            77            78            79            80 
      1  -0.683881D-01  0.125753D+01 -0.207434D+01  0.162756D+01  0.183957D+00
      2  -0.365105D+00  0.747927D-01 -0.805764D+00 -0.172111D+01  0.289398D+00
      3   0.823034D+01 -0.683835D+01 -0.245989D+00 -0.276207D-01 -0.660985D+00
                81            82            83            84            85 
      1  -0.322461D+00  0.227971D+01  0.212653D+01 -0.490437D+01  0.201265D+01
      2   0.391332D-01 -0.203175D-01 -0.794859D+00  0.294128D+01  0.149409D+00
      3  -0.198166D+01  0.642360D+01  0.167012D+01 -0.179222D+01  0.484019D+01
                86            87            88            89            90 
      1   0.411943D+01 -0.466413D+01 -0.255130D+01 -0.120927D+01  0.435324D+01
      2  -0.103397D+01  0.205311D+01 -0.784573D+00  0.139845D+01 -0.198210D+01
      3   0.302450D-01 -0.607406D+00 -0.248932D+01 -0.532405D-01  0.123135D+01
                91            92            93            94            95 
      1   0.161668D+01  0.124196D+00  0.602872D-01  0.493808D+00  0.822183D+00
      2   0.718763D+00 -0.105003D-01  0.564662D+01 -0.183389D+01  0.574925D+01
      3   0.139515D+02 -0.335467D+01 -0.784893D+00  0.839727D+01 -0.100602D+02
                96            97            98            99           100 
      1  -0.400174D+01  0.126834D+01  0.277541D+01 -0.616055D+01 -0.293491D+01
      2   0.270081D+01  0.275079D+01  0.278878D+00 -0.198465D+02 -0.592157D+01
      3  -0.617353D+01  0.829133D+00 -0.579190D+01 -0.164450D+01 -0.875730D-01
               101           102           103           104           105 
      1   0.377317D+01 -0.158952D+01  0.230950D+01 -0.385652D+01  0.229532D+01
      2   0.393271D+01 -0.525460D+01  0.434158D+01 -0.388157D+00  0.221379D+01
      3  -0.245413D+01 -0.986118D+00  0.695821D+00  0.276842D+01 -0.217126D+01
               106           107           108           109           110 
      1  -0.821859D+00  0.523509D+01 -0.196123D+01 -0.187454D+01 -0.574544D+00
      2  -0.331999D+01 -0.193512D+00 -0.553639D-01 -0.735023D+00  0.210501D+01
      3  -0.804309D+00 -0.293630D+01  0.125045D+01  0.557828D+00  0.801787D+00
               111           112           113           114           115 
      1  -0.804587D+00 -0.128655D+01 -0.129087D+02 -0.142718D+01  0.827468D-01
      2  -0.156952D+01  0.270053D+01  0.280188D+01 -0.269137D+00 -0.307672D+00
      3  -0.737226D+00  0.539583D+01 -0.158860D+01 -0.246245D+00 -0.217065D+00
               116           117           118           119           120 
      1   0.663790D+00 -0.288982D+00  0.382323D+01 -0.200491D+01 -0.434031D+01
      2  -0.110232D+01  0.448228D+01  0.708551D+01  0.240958D+00 -0.496992D+01
      3  -0.580829D+00  0.120569D+01  0.435397D+01 -0.218997D+01 -0.428733D+01
               121           122           123           124           125 
      1  -0.208695D+01  0.207950D+01  0.247931D+01 -0.289747D+01  0.431760D+01
      2  -0.486852D+01  0.170538D+01 -0.191275D+01 -0.528998D+01 -0.716779D+00
      3  -0.995535D+00  0.182385D+01  0.905196D+00 -0.321231D+01  0.159121D+01
               126           127           128           129           130 
      1   0.641599D+01  0.677920D+00 -0.470748D-01 -0.725374D+00 -0.484792D-01
      2   0.451611D+01  0.160485D+00  0.378463D-01  0.722578D+00 -0.143716D+01
      3   0.434850D+01  0.136028D+01  0.781714D+00  0.580612D+00  0.571963D+01
               131           132           133           134           135 
      1   0.645513D+00 -0.248707D+01  0.435313D+00  0.100377D+01 -0.216460D+01
      2   0.201275D+01  0.164076D+01 -0.339944D+01  0.130298D+01  0.204466D+01
      3  -0.207447D+01 -0.109164D+01  0.195117D+01 -0.104273D+01 -0.343379D+00
               136           137           138           139           140 
      1  -0.510393D+00  0.180023D+00 -0.262741D+00  0.146632D+00 -0.155889D+01
      2  -0.964645D+00 -0.868870D+00  0.731457D+01  0.192310D+01  0.490838D+00
      3   0.126533D+02 -0.866056D+01  0.162220D+01  0.114203D+02  0.530039D+01
               141           142           143           144           145 
      1  -0.340808D+01  0.933156D+00  0.135903D+01  0.278227D+00  0.104813D+02
      2  -0.148313D+01 -0.713901D+01 -0.238090D+01  0.372507D+00  0.297319D+01
      3  -0.644459D+00 -0.365075D-01  0.280564D+00  0.171479D+01  0.319193D+01
               146           147           148           149           150 
      1  -0.686174D+00  0.428132D+00 -0.658778D+00 -0.796749D+01 -0.187057D+02
      2  -0.142990D+02  0.179491D+02 -0.133524D+02  0.281907D+01  0.636457D+00
      3  -0.680280D+01  0.434454D+01 -0.251034D+01 -0.314129D+00 -0.203255D+01
               151           152           153           154           155 
      1  -0.470014D+00 -0.100205D+02 -0.356061D+01 -0.789368D+00 -0.938075D-01
      2   0.661363D+01  0.150315D+01 -0.243157D+01 -0.763769D+01  0.305110D+01
      3   0.248120D+01 -0.208223D+01 -0.121949D+01 -0.158181D+02  0.134353D+01
               156           157           158           159           160 
      1   0.129706D+01  0.818100D+00  0.300812D+01 -0.975514D+00  0.144527D+01
      2  -0.826752D+01  0.528082D+01 -0.101834D+02  0.353200D+01 -0.229331D+02
      3  -0.237068D+01  0.100862D+02  0.195457D+02  0.939974D+01 -0.397983D+01
               161           162           163           164           165 
      1   0.328182D+01 -0.148672D+01 -0.854095D+01  0.236804D+01 -0.617425D+01
      2   0.265399D+01  0.170172D+02 -0.283633D+01  0.684086D+01 -0.292651D+01
      3   0.970874D+01 -0.313469D+01 -0.131317D+02 -0.165186D+02  0.137328D+01
               166           167           168           169           170 
      1   0.239492D+01 -0.655738D+01  0.152196D+01 -0.927277D+01  0.103429D+02
      2   0.682584D+01 -0.631320D+01  0.258591D+01 -0.124238D+02  0.579518D+01
      3  -0.107316D+02  0.334302D+01  0.421072D+01  0.167542D+01  0.449102D+01
               171           172           173           174           175 
      1   0.135037D+02 -0.523821D+01  0.558646D+01 -0.774817D+00  0.405167D+01
      2   0.684485D+01 -0.167385D+02  0.833436D+01 -0.875406D+01  0.902465D+01
      3   0.228110D+01 -0.726747D+01  0.186303D+01 -0.354249D+01  0.515261D+01
               176           177           178           179           180 
      1  -0.481381D+01  0.206477D+01 -0.993010D+00  0.340535D+01 -0.128850D+01
      2  -0.616579D+01  0.378082D+01 -0.720609D+01  0.324967D+01 -0.578410D+01
      3  -0.212256D+01  0.225769D+01 -0.225550D+01  0.706755D+00 -0.221872D+01
               181           182           183           184           185 
      1  -0.454885D+01 -0.531666D+01  0.141375D+00 -0.364877D+01 -0.437107D+01
      2   0.119147D+02  0.516660D+01 -0.141727D+01  0.702716D+01  0.277620D+01
      3   0.329416D+01 -0.115732D+01 -0.681418D+00  0.242060D+01 -0.103345D+01
               186           187           188           189           190 
      1   0.196574D+01  0.790876D+00  0.354770D+01 -0.112960D+01  0.154231D+01
      2  -0.244922D+00 -0.470674D+01 -0.142900D+01  0.203249D+01 -0.780590D+00
      3   0.663909D+00 -0.102282D+01  0.801893D+00  0.652027D+00  0.197884D+00
               191           192           193           194           195 
      1  -0.110480D+00  0.614704D+00 -0.247284D+00  0.166581D+02  0.843517D+01
      2  -0.988808D+00 -0.195479D+01 -0.373288D+01 -0.124306D+01 -0.307764D+01
      3  -0.516601D+00 -0.545779D+00  0.176801D+01  0.201126D+01  0.152914D+01
               196           197           198           199           200 
      1   0.333527D+00  0.932473D+01  0.890818D+01 -0.702278D+00 -0.638589D-01
      2  -0.359027D+01 -0.180330D+01 -0.211784D+01  0.195016D+01  0.654739D+00
      3   0.316521D+00  0.122396D+01  0.140111D+01 -0.367725D+01 -0.311706D+01
               201           202           203           204           205 
      1  -0.547365D+00 -0.183745D+00 -0.292755D+01 -0.389515D+01  0.752949D-01
      2   0.135554D+01 -0.630407D+00  0.572128D+01  0.406834D+01  0.178256D+01
      3   0.175950D+00 -0.141022D+01 -0.260831D+02 -0.585781D+01  0.775756D+00
               206           207           208           209           210 
      1  -0.493713D+00 -0.391240D+00 -0.145565D+00  0.678834D+00 -0.197582D+00
      2   0.321762D+01  0.364297D+01  0.873553D+01 -0.208594D+01  0.677709D+01
      3  -0.583393D+01 -0.302572D+01  0.859484D+01 -0.736130D+01  0.240150D+01
               211           212           213           214           215 
      1  -0.252152D+00 -0.584389D+00 -0.100798D+01 -0.198416D+00  0.109374D+01
      2  -0.387577D+01  0.399723D+01 -0.492991D+01  0.855833D+01 -0.324820D+01
      3  -0.565376D+01  0.621847D+01 -0.362441D+01  0.370636D+01 -0.591289D+01
               216           217           218           219           220 
      1   0.464517D+00  0.701297D+00 -0.830115D+00 -0.484047D+00 -0.162305D+00
      2   0.710479D+01 -0.466835D+01 -0.103145D+01  0.930765D+01 -0.775015D+00
      3   0.339306D+01  0.179505D+01 -0.246662D+01  0.259234D+00 -0.162894D+01
               221           222           223           224           225 
      1   0.183571D+00 -0.588736D+00 -0.727975D+00  0.303880D+01  0.192509D+01
      2  -0.206927D+01 -0.150487D+01  0.893228D+01  0.563432D-01 -0.267683D+02
      3  -0.981608D+00  0.206205D+01  0.474978D+00  0.456001D+01  0.256667D+00
               226           227           228           229           230 
      1   0.358847D+01  0.139664D+01 -0.309118D+01  0.180401D+01  0.275265D+01
      2  -0.287849D+01 -0.240076D+01  0.111578D+01 -0.170187D+01 -0.132845D+01
      3   0.189946D+02  0.959824D+01 -0.124481D+01  0.119994D+02  0.107257D+02
               231           232           233           234           235 
      1  -0.288514D+01 -0.132341D+01 -0.114987D+01  0.616338D+00 -0.203546D+01
      2   0.412847D+00 -0.839397D-01 -0.216761D+01  0.213162D+01 -0.126406D+01
      3  -0.408689D+00 -0.175986D+01 -0.117419D+01  0.313901D+01  0.590084D-01
               236           237           238           239           240 
      1  -0.954550D-01  0.363527D+01  0.234850D+00 -0.218921D+01 -0.152330D+01
      2   0.195638D+00  0.397499D+01 -0.574156D+00 -0.160839D+01 -0.174020D+01
      3  -0.434859D+00  0.164928D+01  0.100772D+01 -0.110706D+00  0.132467D+01
               241           242           243           244           245 
      1   0.442022D+01  0.161478D+00 -0.184260D+02  0.560738D+01 -0.365566D+01
      2   0.572244D+00 -0.390288D+01 -0.162877D+02  0.458856D+01 -0.346689D+01
      3   0.264728D+01  0.389444D+01  0.170343D+00 -0.407562D+01 -0.202483D+01
               246           247           248           249           250 
      1   0.496916D+01 -0.355126D+01  0.504607D+01 -0.416977D+01  0.459076D+01
      2   0.418047D+01 -0.302220D+01  0.432717D+01 -0.286174D+01  0.399937D+01
      3  -0.177555D+01  0.243819D+01  0.297032D+01 -0.848681D+00 -0.241301D+01
               251           252           253           254           255 
      1  -0.331218D+01  0.380923D+01 -0.162553D+00 -0.356489D+00 -0.144558D+01
      2  -0.403176D+01  0.469545D+01 -0.255396D+01 -0.101580D+01 -0.107402D+02
      3  -0.323879D+01 -0.268610D+00 -0.106000D+02  0.125277D+01  0.753265D+00
               256           257           258           259           260 
      1   0.367762D+00  0.129917D+01  0.663207D+01 -0.180772D+00  0.929991D+01
      2  -0.205196D+01  0.207281D+01 -0.659629D+01 -0.200690D+02 -0.966481D+00
      3   0.441463D+01  0.198312D+02 -0.163673D+01  0.204124D+01 -0.214494D+01
               261           262           263           264           265 
      1  -0.160638D+01 -0.220404D+00  0.466285D+00  0.170271D+01  0.468526D-01
      2   0.161870D+01  0.163327D+01  0.157788D+01  0.596484D+01  0.193792D+01
      3   0.291726D+01  0.216107D+02 -0.115310D+01 -0.116187D+01  0.134232D+02
               266           267           268           269           270 
      1   0.861530D+00  0.201141D+01 -0.314372D+01  0.766804D+01 -0.673683D+00
      2   0.207045D+01  0.179632D+02 -0.852129D+01  0.225055D+02 -0.505603D+01
      3  -0.114605D+02 -0.214685D+01 -0.154793D+01 -0.303166D+01 -0.207756D+02
               271           272           273           274           275 
      1   0.716661D+00  0.429208D+00  0.996375D+00  0.164345D+00  0.135978D+00
      2  -0.118815D+01 -0.131855D+00  0.662500D+01  0.463305D+00 -0.248073D+01
      3  -0.845999D+01 -0.677919D+01 -0.415503D+00  0.166046D+01 -0.362067D+02
               276           277           278           279           280 
      1  -0.922416D+01  0.396742D+00  0.381797D+00  0.132663D+01  0.610608D+00
      2   0.101224D+02  0.512900D+01  0.709687D+01 -0.178731D+01  0.394027D+01
      3   0.206154D+01 -0.946159D+00  0.234368D+01 -0.747874D+01  0.377597D+00
               281           282           283           284           285 
      1  -0.121004D+00 -0.287342D-01 -0.603990D+00  0.927159D+00 -0.347572D+01
      2  -0.342653D+00  0.823587D+00 -0.202014D+01  0.869831D+01 -0.117479D+02
      3  -0.509159D+00 -0.478286D+00 -0.311104D+01  0.142481D+02 -0.801675D+01
               286           287           288           289           290 
      1   0.110480D+01 -0.816525D+00  0.488069D+01 -0.102546D+00 -0.110028D-01
      2   0.427410D+01 -0.131501D+02  0.220232D+02 -0.192546D+01 -0.554634D+00
      3   0.164089D+01 -0.106158D+02  0.123063D+02 -0.146867D+02 -0.996249D+01
               291           292           293           294           295 
      1   0.357986D+00  0.683924D-01 -0.370572D-01 -0.834916D+00  0.812374D+00
      2   0.715411D+01 -0.699919D+00 -0.764196D+00  0.183650D+01  0.451942D+01
      3   0.515711D+00 -0.831106D+01 -0.806042D+01  0.643225D+00  0.691143D+00
               296           297           298           299           300 
      1   0.477491D+00 -0.447678D-01 -0.641144D+00 -0.662968D-01 -0.265709D+00
      2  -0.515967D+00 -0.476305D+00 -0.363046D+01 -0.247174D+00  0.174741D+00
      3   0.102178D+01 -0.134998D+00  0.792223D+00  0.236464D+00  0.915936D+00
               301           302           303           304           305 
      1   0.768586D+00 -0.208949D+01 -0.415024D+01  0.101911D+01 -0.161372D+01
      2   0.159883D+01 -0.993742D+01 -0.117428D+02  0.347831D+01 -0.130474D+02
      3  -0.317741D+01  0.188624D+02  0.905349D+01 -0.122656D+01  0.122280D+02
               306 
      1  -0.435711D+01
      2  -0.160768D+02
      3   0.121897D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.155309D+01 -0.116868D+02 -0.192444D+02 -0.759027D+01 -0.109578D+02
      2   0.857801D+01  0.361439D+01 -0.301488D+01  0.462338D+01  0.103653D+02
      3  -0.702492D+01  0.807244D+01  0.222593D+02  0.296688D+01  0.592526D+00
      4  -0.166768D+02 -0.111836D+02 -0.129497D+02 -0.888531D+01  0.528594D+01
      5  -0.195220D+02 -0.146257D+02 -0.144884D+02 -0.141527D+02  0.325963D+00
      6  -0.222279D+02 -0.790945D+01  0.739216D+01 -0.441956D+01  0.736112D+01
                 6             7             8             9            10 
      1   0.332278D+01 -0.119482D+02  0.112569D+01  0.199393D+02  0.938138D+01
      2   0.966744D+01 -0.160376D+01  0.500490D+01 -0.629104D+00 -0.216903D+02
      3  -0.129902D+02  0.135519D+02 -0.613059D+01 -0.193102D+02  0.123089D+02
      4   0.247373D+00 -0.637083D+01 -0.166263D+01  0.438481D+01  0.125391D+01
      5  -0.113189D+02 -0.972736D+01  0.362759D+00 -0.581747D+01  0.468278D+01
      6  -0.346766D+01  0.790773D+01 -0.104710D+02 -0.766550D+00  0.565317D+01
                11            12            13            14            15 
      1  -0.134770D+01  0.139658D+00 -0.259311D+01 -0.580091D+00 -0.511583D+01
      2  -0.199274D+01  0.903411D+01 -0.975232D+00 -0.363869D+01  0.124382D+02
      3   0.334044D+01 -0.917377D+01  0.356834D+01  0.421878D+01 -0.732232D+01
      4  -0.178919D+02  0.668576D+01 -0.129204D+02 -0.274744D+01  0.104555D+02
      5   0.537525D+01 -0.366724D+01  0.427726D+01  0.806462D+01  0.341210D+01
      6   0.827653D+01 -0.664579D+01  0.652160D+01  0.101883D+02  0.213422D+01
                16            17            18            19            20 
      1  -0.265473D+01 -0.572348D+01 -0.555648D+01 -0.505644D+01  0.951811D+01
      2   0.823626D+01  0.151370D+02  0.868311D+01 -0.570119D+01 -0.985572D+00
      3  -0.558152D+01 -0.941352D+01 -0.312663D+01  0.107576D+02 -0.853254D+01
      4   0.336424D+01  0.110388D+02 -0.472916D+01  0.536195D+01 -0.594473D+00
      5  -0.245166D+01 -0.814337D+00 -0.532886D+00  0.158312D+02 -0.204046D+01
      6  -0.603916D+01  0.223396D+01 -0.574028D+01  0.416130D+01  0.726543D+01
                21            22            23            24            25 
      1  -0.519681D+01  0.848250D+01  0.204923D+01  0.675290D+01  0.719914D+01
      2  -0.407480D+01 -0.314048D+01 -0.208982D+01 -0.293643D+00  0.179502D+01
      3   0.927161D+01 -0.534203D+01  0.405901D-01 -0.645925D+01 -0.899416D+01
      4  -0.266002D+01 -0.180683D+01 -0.938000D+01 -0.316456D+01  0.348669D+01
      5   0.271697D+02  0.108584D+01 -0.210594D+01 -0.136210D+02 -0.764705D+01
      6  -0.108542D+02  0.200236D+01 -0.130324D+02  0.431232D+01  0.260279D+01
                26            27            28            29            30 
      1   0.122880D+01 -0.262923D+02 -0.116658D+01  0.130228D+01 -0.819901D+01
      2  -0.282306D+01 -0.115689D+01  0.946515D+01 -0.324600D+01 -0.621283D+01
      3   0.159426D+01  0.274492D+02 -0.829858D+01  0.194372D+01  0.144118D+02
      4  -0.295526D+01  0.633347D+01  0.182895D+01  0.118808D+01  0.371832D+00
      5   0.347572D+01  0.237541D+02 -0.198514D+01 -0.354366D+01 -0.104626D+02
      6  -0.187198D+00 -0.617316D+01 -0.706025D+01 -0.416369D+00 -0.182609D+01
                31            32            33            34            35 
      1  -0.255782D+00  0.146223D+02 -0.109892D+01 -0.959705D+01  0.178449D+01
      2  -0.584827D+01 -0.194812D+02  0.722772D+01 -0.392049D+01  0.357150D+01
      3   0.610405D+01  0.485887D+01 -0.612880D+01  0.135175D+02 -0.535599D+01
      4   0.116782D+01  0.142422D+01 -0.123208D+01 -0.629907D+00 -0.925467D+00
      5  -0.154829D+01  0.256321D+01  0.133042D+02 -0.766201D+01  0.354389D+01
      6   0.478484D+00  0.211316D+02 -0.660252D+01 -0.224348D+01 -0.225644D+00
                36            37            38            39            40 
      1   0.848176D-01 -0.322081D+02  0.301448D+01  0.360626D+00  0.121736D+02
      2   0.867947D+01  0.158787D+02 -0.248525D+01 -0.498714D+00 -0.313556D+01
      3  -0.876428D+01  0.163294D+02 -0.529234D+00  0.138088D+00 -0.903804D+01
      4  -0.626002D+00 -0.185173D+01 -0.926757D+01  0.786873D+00 -0.330927D+01
      5  -0.179617D+01  0.165799D+01  0.156859D+01 -0.605272D+01  0.966864D+00
      6  -0.204199D+01  0.381708D+01 -0.785308D+00 -0.166722D+01 -0.124430D+01
                41            42            43            44            45 
      1   0.252125D+01  0.352962D-01  0.367005D+01 -0.302787D+01  0.962833D+01
      2  -0.944008D+00 -0.619409D+00  0.804283D-01  0.135367D+01 -0.198965D+01
      3  -0.157724D+01  0.584113D+00 -0.375048D+01  0.167420D+01 -0.763868D+01
      4   0.849051D-01 -0.502099D+00  0.155141D+01 -0.101487D+00 -0.156481D+00
      5  -0.357700D+00 -0.860980D+01 -0.421808D+01 -0.127567D+01 -0.517958D+01
      6  -0.627456D+01 -0.559989D+01  0.933392D+00 -0.636964D+01  0.946821D+00
                46            47            48            49            50 
      1  -0.190060D+02  0.842822D+01 -0.539656D+01  0.137470D+02 -0.652320D+01
      2   0.233858D+01  0.674524D+00 -0.259513D+01 -0.518292D+01 -0.599357D+01
      3   0.166674D+02 -0.910274D+01  0.799169D+01 -0.856411D+01  0.125168D+02
      4   0.109281D+02 -0.134955D+01 -0.353705D+01 -0.284066D+00  0.116315D+00
      5  -0.724531D+00 -0.768714D+01  0.113630D+02 -0.611285D+01 -0.390780D+01
      6  -0.102529D+02  0.197954D+01 -0.252493D+01  0.168512D+01 -0.693059D+01
                51            52            53            54            55 
      1   0.676208D+01 -0.773817D+01  0.843373D+01 -0.184386D+01  0.208107D+02
      2  -0.836037D+01  0.111967D+01 -0.124096D+02 -0.125013D+01 -0.125057D+02
      3   0.159829D+01  0.661851D+01  0.397584D+01  0.309399D+01 -0.830494D+01
      4  -0.629172D+01  0.113688D+01 -0.962968D+01  0.258894D+00  0.264765D+02
      5  -0.379945D+01  0.355355D+01 -0.279301D+01  0.964191D+01  0.294610D+02
      6   0.720083D+01 -0.541401D+00  0.250238D+01  0.178012D+01  0.179732D+02
                56            57            58            59            60 
      1   0.414770D+01  0.545312D+01  0.369037D+01  0.124901D+01 -0.160121D+01
      2   0.415339D+00 -0.627419D+01  0.107913D+01  0.416452D+01 -0.809772D+00
      3  -0.456303D+01  0.821077D+00 -0.476950D+01 -0.541354D+01  0.241098D+01
      4   0.183874D+02  0.144130D+02  0.161094D+02  0.144866D+02  0.829055D+01
      5   0.155705D+02  0.204499D+02  0.119404D+02  0.108063D+02  0.101495D+02
      6   0.142050D+02  0.127451D+02  0.107094D+02  0.118777D+02  0.101412D+02
                61            62            63            64            65 
      1   0.276569D+01 -0.843528D+00 -0.195336D+01 -0.786117D+01  0.894423D+01
      2  -0.520276D+01 -0.178386D+01 -0.647931D+01 -0.213797D+01 -0.399840D+01
      3   0.243708D+01  0.262739D+01  0.843267D+01  0.999914D+01 -0.494583D+01
      4   0.787028D+01  0.647456D+01  0.758752D+01 -0.280199D+01  0.281061D+01
      5   0.163208D+02  0.711427D+01  0.169471D+02 -0.609548D+01  0.448100D+01
      6   0.711039D+01  0.961818D+01  0.949813D+01  0.109584D+02 -0.905370D+01
                66            67            68            69            70 
      1   0.179576D+02  0.343735D+01 -0.761839D+01 -0.112772D+02  0.102897D+02
      2   0.454021D+01 -0.397836D+01  0.415984D+01 -0.126917D+01  0.135927D+01
      3  -0.224979D+02  0.541016D+00  0.345855D+01  0.125464D+02 -0.116490D+02
      4   0.583334D+01  0.210993D+01 -0.386932D+00 -0.249428D+01  0.347695D+01
      5   0.567025D+01  0.642962D+01 -0.434091D+01  0.966619D+01  0.912288D+01
      6  -0.134952D+02 -0.637306D+01  0.101886D+02  0.926560D+01 -0.887542D+01
                71            72            73            74            75 
      1  -0.104186D+02 -0.309740D+02 -0.332108D+01  0.105369D+02  0.923754D+00
      2   0.108097D+01 -0.120703D+02  0.144127D+02 -0.189075D+02 -0.909238D+00
      3   0.933763D+01  0.430443D+02 -0.110917D+02  0.837061D+01 -0.145164D-01
      4   0.779312D+00 -0.360490D+01 -0.158815D+02  0.115663D+02 -0.136235D+01
      5  -0.140834D+01  0.504870D+01 -0.226223D+01  0.587598D+00  0.146810D+01
      6   0.161531D+02  0.217518D+02 -0.315983D+00 -0.189502D+01 -0.468691D+01
                76            77            78            79            80 
      1   0.598278D+01 -0.105315D+02 -0.178319D+00  0.537623D+00  0.119451D+00
      2  -0.126271D+02  0.212456D+02 -0.180864D+01 -0.118697D+01 -0.100664D+01
      3   0.664430D+01 -0.107141D+02  0.198696D+01  0.649346D+00  0.887188D+00
      4   0.100655D+02 -0.824796D+01 -0.902611D+00 -0.123447D+00 -0.130264D+01
      5   0.644880D+00 -0.183722D+01 -0.268000D-01  0.279556D+01 -0.653661D+00
      6  -0.158517D+01  0.481999D+00  0.354499D+01 -0.381081D+01  0.554953D+01
                81            82            83            84            85 
      1  -0.230588D+01  0.371200D+01 -0.336836D+01 -0.893155D+00 -0.184341D+01
      2   0.148117D+01  0.829127D+01  0.157526D+02 -0.425761D+01  0.104312D+02
      3   0.824712D+00 -0.120033D+02 -0.123843D+02  0.515076D+01 -0.858784D+01
      4  -0.183447D+01  0.149392D+02  0.192687D+02 -0.684437D+01  0.149796D+02
      5   0.716534D+00 -0.386241D+01 -0.430939D+01  0.679959D+01 -0.249824D+01
      6   0.106979D+01 -0.494614D+01 -0.504794D+01  0.615357D+01 -0.395724D+01
                86            87            88            89            90 
      1  -0.120311D+02  0.354121D+01  0.511986D+00  0.554161D+01 -0.250643D+01
      2   0.315462D+02 -0.909015D+01 -0.327490D+01 -0.122055D+02  0.505468D+01
      3  -0.195150D+02  0.554894D+01  0.276292D+01  0.666393D+01 -0.254825D+01
      4   0.224015D+02 -0.730711D+01 -0.574764D+01 -0.865767D+01  0.761638D+01
      5  -0.575327D+01  0.423353D+01  0.394682D+01  0.498275D+01 -0.649742D+01
      6  -0.945238D+01  0.718401D+01  0.566867D+01  0.933913D+01 -0.673335D+01
                91            92            93            94            95 
      1  -0.955987D+00 -0.289458D+02  0.137553D+02 -0.330855D+02  0.106949D+02
      2   0.117557D+02  0.100340D+02  0.429596D+01  0.138393D+02 -0.759584D+01
      3  -0.107997D+02  0.189118D+02 -0.180513D+02  0.192462D+02 -0.309904D+01
      4  -0.247415D+02  0.672407D+01  0.270667D+01  0.465191D+01  0.139622D+02
      5  -0.335405D+01  0.600144D+01 -0.536780D+01  0.284511D+01  0.580509D+01
      6   0.740680D+01 -0.379972D+01  0.758223D+01 -0.246827D+01 -0.494390D+00
                96            97            98            99           100 
      1  -0.562752D+01  0.921627D+01 -0.142292D+01  0.240329D+02  0.121280D+02
      2  -0.647622D+01  0.395635D+00 -0.707996D+01 -0.860061D+00 -0.988482D+01
      3   0.121037D+02 -0.961190D+01  0.850287D+01 -0.231729D+02 -0.224315D+01
      4   0.960457D+01 -0.215834D+01  0.113441D+02 -0.258247D+01 -0.923014D+01
      5   0.665195D+01  0.993300D+01  0.136630D+01 -0.352214D+02  0.137677D+02
      6  -0.671071D+01  0.484573D+00 -0.191719D+01  0.126396D+02 -0.524649D+01
               101           102           103           104           105 
      1  -0.505831D+01  0.815629D+01 -0.358164D+01 -0.221940D+01  0.459851D+00
      2   0.163362D+01 -0.476314D+01  0.159066D+01  0.322553D+00 -0.118150D+00
      3   0.342469D+01 -0.339314D+01  0.199097D+01  0.189684D+01 -0.341700D+00
      4   0.765605D+01 -0.322695D+01  0.861637D+01 -0.889412D+01  0.705322D+01
      5  -0.401222D+01  0.427403D+01 -0.577842D+01  0.817048D+01 -0.105800D+01
      6   0.346221D+01  0.112399D+01  0.521451D+01 -0.944228D+01  0.916237D+01
               106           107           108           109           110 
      1   0.228092D+00  0.273908D+01 -0.516719D+01 -0.157282D-01 -0.116422D+01
      2  -0.847511D+01  0.347030D+01 -0.142665D+02  0.357747D+01  0.181743D+01
      3   0.824702D+01 -0.620938D+01  0.194337D+02 -0.356174D+01 -0.653208D+00
      4  -0.528528D+01  0.651401D+01 -0.813979D+01  0.125470D+01  0.546819D+01
      5   0.168793D+02 -0.815706D+01  0.193868D+02 -0.240853D+01 -0.923128D+00
      6  -0.578764D+01  0.103292D+02 -0.105773D+02 -0.239782D+01 -0.203630D+01
               111           112           113           114           115 
      1   0.223295D+01 -0.966007D+00 -0.261938D+02  0.102369D+02  0.175220D+01
      2   0.168071D+01  0.296098D+01  0.365511D+02 -0.712881D+01 -0.990890D+00
      3  -0.391366D+01 -0.199497D+01 -0.103572D+02 -0.310810D+01 -0.761312D+00
      4  -0.161315D+00  0.604455D+01  0.155136D+01 -0.724268D+00 -0.107044D+01
      5  -0.935483D+00 -0.414222D+01 -0.379540D+01 -0.697821D+00  0.588236D+01
      6   0.326733D+01 -0.369739D+01 -0.283489D+02  0.140969D+02  0.247841D+00
               116           117           118           119           120 
      1   0.652772D+01 -0.773713D+01  0.379159D+01 -0.196317D+01  0.744808D+01
      2  -0.171089D+01  0.379123D+00 -0.941324D+01  0.504609D+00  0.113192D+02
      3  -0.481683D+01  0.735800D+01  0.562165D+01  0.145856D+01 -0.187673D+02
      4   0.652933D+00 -0.158407D+01  0.289254D+01  0.708503D+00  0.763771D+00
      5  -0.193483D+01  0.640686D+01 -0.166819D+02  0.433572D+01  0.392969D+01
      6   0.111484D+02 -0.103050D+02  0.190156D+01 -0.412947D+01  0.681928D+01
               121           122           123           124           125 
      1   0.325990D+00 -0.414659D+01 -0.195341D+01  0.361274D+01  0.150388D+00
      2   0.364045D+01  0.578938D+00 -0.337775D+01  0.758173D+01 -0.241975D+01
      3  -0.396644D+01  0.356765D+01  0.533116D+01 -0.111945D+02  0.226936D+01
      4   0.177266D+01 -0.115551D+01  0.247940D+00 -0.202095D+01 -0.928081D+00
      5   0.247002D+01 -0.132192D+01 -0.892595D+01  0.137599D+02 -0.161058D+01
      6  -0.153612D+01 -0.711108D+00  0.674812D+01  0.162726D+01  0.517431D+01
               126           127           128           129           130 
      1  -0.139630D+02  0.729012D+01  0.107577D+01  0.867307D+00  0.363098D+01
      2  -0.152773D+02 -0.261528D+01  0.122726D+00 -0.716931D+00 -0.130035D+01
      3   0.292402D+02 -0.467483D+01 -0.119849D+01 -0.150376D+00 -0.233063D+01
      4   0.104626D+01  0.241123D+01  0.312552D+01  0.175217D+01  0.433311D+01
      5  -0.106459D+02  0.246105D+01  0.124258D+01  0.341770D+01  0.176565D+01
      6  -0.366662D+01  0.272402D+01  0.129122D+01  0.143831D+01  0.169231D+01
               131           132           133           134           135 
      1  -0.839513D+01 -0.436133D+01  0.210228D+01 -0.414586D+01 -0.746780D+01
      2   0.100349D+02  0.453474D+01 -0.143472D+01  0.221376D+01  0.198737D+01
      3  -0.163979D+01 -0.173406D+00 -0.667566D+00  0.193210D+01  0.548042D+01
      4   0.291587D+01  0.265763D+01  0.206449D+01  0.197115D+01  0.277636D+01
      5   0.270952D+01  0.183669D+01  0.317146D+01  0.314056D+01  0.284523D+01
      6   0.873813D+01  0.881512D+01  0.176771D+01  0.721973D+01  0.934492D+01
               136           137           138           139           140 
      1   0.251735D+02 -0.696277D+01  0.441600D+01 -0.238041D+02 -0.258392D+01
      2  -0.126614D+02  0.156195D+01 -0.197365D+01  0.127739D+02  0.462659D+01
      3  -0.125121D+02  0.540082D+01 -0.244235D+01  0.110302D+02 -0.204267D+01
      4  -0.580431D+01  0.169573D+02 -0.115224D+01  0.109119D+02 -0.500015D+01
      5   0.264273D+01 -0.911836D+00  0.146091D+02 -0.181134D+01  0.123170D+01
      6  -0.507983D+00 -0.636348D+00  0.380283D+00  0.194335D+00  0.235114D+00
               141           142           143           144           145 
      1   0.191535D+00  0.298141D+01  0.569227D+00 -0.451317D+01  0.111440D+02
      2   0.429288D+00 -0.947909D+00 -0.266194D+00  0.110947D+01 -0.191625D+01
      3  -0.620824D+00 -0.203350D+01 -0.303032D+00  0.340370D+01 -0.922773D+01
      4   0.139986D+01 -0.955528D+00 -0.218184D+00 -0.235399D+01 -0.770531D+01
      5   0.811637D+00  0.944718D+00 -0.958731D+00  0.357478D+00  0.669206D+01
      6   0.495337D+01  0.110019D+01  0.331964D+01 -0.530065D+00  0.256650D+02
               146           147           148           149           150 
      1  -0.625701D+01  0.384440D+01 -0.655259D+01  0.103990D+02  0.619241D+01
      2   0.408861D+01 -0.499818D+01  0.354208D+01  0.922999D+01  0.798378D+01
      3   0.216840D+01  0.115378D+01  0.301051D+01 -0.196290D+02 -0.141762D+02
      4  -0.890231D+01  0.913641D+01 -0.921748D+01  0.187653D+01  0.590584D+01
      5   0.202089D+02 -0.127653D+02  0.217189D+02  0.458553D+01  0.194611D+01
      6  -0.957304D+00 -0.254462D+01 -0.151410D+01 -0.393866D+01 -0.219935D+02
               151           152           153           154           155 
      1   0.437029D+01  0.307274D+01 -0.601724D+01 -0.306646D+01  0.314877D+02
      2  -0.163303D+01  0.872728D+01 -0.453073D+01  0.942221D+00 -0.149818D+02
      3  -0.273725D+01 -0.118000D+02  0.105480D+02  0.212424D+01 -0.165059D+02
      4   0.627127D+01  0.478832D+01  0.172224D+01  0.300424D+02 -0.353115D+01
      5  -0.144971D+02  0.230921D+01 -0.530985D+01 -0.144694D+02  0.235538D+01
      6   0.564559D-01 -0.161952D+02 -0.108391D+02 -0.233034D+01  0.620867D+00
               156           157           158           159           160 
      1  -0.207222D+02  0.371690D+02 -0.747066D+01  0.783810D+01 -0.229778D+02
      2   0.376798D+01 -0.205906D+02  0.776214D-01 -0.499978D+01  0.607527D+01
      3   0.169542D+02 -0.165784D+02  0.739304D+01 -0.283832D+01  0.169026D+02
      4   0.307170D+01 -0.896986D+01 -0.263640D+02 -0.154764D+02  0.787248D+01
      5  -0.146764D+02  0.846463D+01 -0.146842D+02  0.783825D+01 -0.341871D+02
      6  -0.403233D+01 -0.136025D+01  0.922623D+00  0.424668D+00  0.393400D+00
               161           162           163           164           165 
      1   0.723968D+01 -0.232370D+02  0.838476D+01  0.257633D+02 -0.962653D+01
      2  -0.464518D+01  0.216348D+02 -0.235876D+02 -0.112311D+02 -0.529573D+01
      3  -0.259450D+01  0.160215D+01  0.152028D+02 -0.145322D+02  0.149223D+02
      4  -0.158605D+02  0.582018D+01  0.222074D+02 -0.217788D+02  0.923353D+01
      5   0.647094D+01  0.295229D+02 -0.710964D+01  0.120319D+01 -0.536027D+01
      6  -0.396724D-01  0.390027D+01  0.348434D+01 -0.616356D+01  0.678130D+01
               166           167           168           169           170 
      1   0.239901D+02 -0.931946D+01 -0.141462D+01 -0.998757D+01  0.628254D+00
      2  -0.122554D+02  0.804631D+01  0.919410D+01 -0.317489D+01  0.121493D+02
      3  -0.117347D+02  0.127315D+01 -0.777948D+01  0.131625D+02 -0.127776D+02
      4  -0.185894D+02 -0.646307D+01 -0.150192D+02  0.141821D+02 -0.185829D+02
      5   0.305948D+01 -0.126328D+02  0.489379D+01 -0.173752D+02  0.111297D+02
      6  -0.612271D+01  0.131053D+02 -0.170083D+01  0.135701D+02 -0.631435D+01
               171           172           173           174           175 
      1  -0.328660D+00 -0.539549D+01  0.726830D+01 -0.101611D+02  0.606001D+01
      2   0.154858D+02 -0.126274D+00 -0.476028D+01 -0.148456D+01 -0.406436D+01
      3  -0.151571D+02  0.552177D+01 -0.250802D+01  0.116456D+02 -0.199566D+01
      4   0.161521D+02 -0.670939D+01  0.528096D+01 -0.322055D+01  0.615680D+01
      5   0.140572D+02  0.164811D+02 -0.851314D+01  0.668548D+01 -0.107183D+02
      6  -0.142359D+02 -0.139651D+02  0.117332D+02 -0.863144D+01  0.101687D+02
               176           177           178           179           180 
      1  -0.109282D+02  0.838548D+01 -0.522398D+01  0.498583D+01 -0.872515D+01
      2   0.628471D+01 -0.139757D+01 -0.226516D+01 -0.437351D+00 -0.217898D+01
      3   0.464344D+01 -0.698791D+01  0.748914D+01 -0.454848D+01  0.109041D+02
      4  -0.384799D+01  0.936854D+00 -0.238102D+01  0.945984D+00 -0.173737D+01
      5   0.527140D+01 -0.360027D+01  0.768873D+01 -0.279600D+01  0.487352D+01
      6  -0.137972D+02  0.140447D+02 -0.593678D+01  0.892847D+01 -0.745531D+01
               181           182           183           184           185 
      1   0.692995D+01 -0.289853D-01  0.329611D+01  0.830840D+00 -0.524422D+01
      2  -0.761771D+01  0.187968D+00  0.688110D+01 -0.191546D+00  0.298900D+01
      3   0.687757D+00 -0.158983D+00 -0.101772D+02 -0.639294D+00  0.225522D+01
      4   0.138260D+02  0.112778D+02 -0.882926D+01  0.106027D+02  0.999882D+01
      5  -0.236533D+02 -0.143540D+02  0.209342D+02 -0.131242D+02 -0.110595D+02
      6  -0.143053D+02 -0.113049D+02  0.101194D+02 -0.962241D+01 -0.129519D+02
               186           187           188           189           190 
      1   0.528034D+01  0.160193D+01  0.301900D+01 -0.430353D+01 -0.209418D+01
      2   0.401625D+00  0.505466D+01  0.933665D+00 -0.574021D+01 -0.191609D+01
      3  -0.568197D+01 -0.665659D+01 -0.395266D+01  0.100437D+02  0.401027D+01
      4  -0.705383D+01 -0.466301D+01 -0.423439D+01  0.581618D+01 -0.327465D+00
      5   0.102933D+02  0.135613D+02  0.685688D+01 -0.132039D+02 -0.830009D+00
      6   0.133626D+02  0.683864D+01  0.924448D+01 -0.838090D+01  0.772859D+00
               191           192           193           194           195 
      1  -0.632512D+00 -0.236882D+01 -0.991600D+00 -0.921970D+01 -0.142973D+02
      2  -0.433320D+00  0.239472D+00 -0.290620D+00 -0.383836D+01 -0.112921D+02
      3   0.106583D+01  0.212935D+01  0.128222D+01  0.130581D+02  0.255894D+02
      4   0.303591D+01 -0.232897D+00  0.302831D+01 -0.613096D+01 -0.309698D+01
      5   0.151059D+01  0.715094D+01  0.346006D+01 -0.257800D+01 -0.508668D+01
      6   0.909266D+00  0.600188D+00  0.823112D+00  0.214427D+02  0.164257D+02
               196           197           198           199           200 
      1  -0.157318D+01 -0.739008D+01 -0.148523D+02  0.437321D+01  0.530979D+01
      2   0.106258D+00 -0.735863D+01 -0.138566D+02  0.669632D-01 -0.471903D+00
      3   0.146692D+01  0.147487D+02  0.287089D+02 -0.444017D+01 -0.483789D+01
      4  -0.216963D-01 -0.240818D+01 -0.357158D+01  0.707587D+01  0.108740D+02
      5   0.645903D+01 -0.321799D+01 -0.312972D+01  0.338652D+01  0.117514D+01
      6   0.433832D-01  0.133033D+02  0.122759D+02  0.821227D+00 -0.125946D+00
               201           202           203           204           205 
      1   0.444210D+01  0.148046D+02  0.375164D+01 -0.801645D+00  0.728664D+01
      2  -0.138892D+01 -0.399265D+01  0.923587D+01  0.334149D+01 -0.381074D+01
      3  -0.305318D+01 -0.108120D+02 -0.129875D+02 -0.253985D+01 -0.347590D+01
      4   0.156834D+01  0.180253D+02  0.423751D+02  0.837369D+01  0.153184D+01
      5   0.258968D+01 -0.153903D+01  0.822972D+01  0.387222D+01  0.800743D+01
      6   0.112773D+01  0.166202D+00 -0.591854D+00  0.522023D+01 -0.443761D+00
               206           207           208           209           210 
      1   0.255345D+00  0.481633D+00  0.665821D+02 -0.172084D+02  0.197720D+02
      2   0.187171D+01 -0.345765D+01 -0.320355D+02  0.699938D+01 -0.757577D+01
      3  -0.212706D+01  0.297601D+01 -0.345466D+02  0.102090D+02 -0.121962D+02
      4   0.881980D+01  0.408012D+01 -0.171496D+02  0.118430D+02 -0.331811D+01
      5   0.374871D+01  0.616593D+01  0.172526D+02 -0.306056D+01  0.969602D+01
      6   0.417407D+01 -0.130884D+01  0.634755D+00 -0.487904D+00  0.240372D+01
               211           212           213           214           215 
      1  -0.310890D+02  0.125417D+02 -0.685812D+01  0.322232D+02 -0.664319D+01
      2   0.143629D+02 -0.326623D+01  0.311113D+01 -0.169135D+02  0.343674D+01
      3   0.167262D+02 -0.927550D+01  0.374699D+01 -0.153096D+02  0.320645D+01
      4   0.178649D+02 -0.120757D+02  0.729065D+01 -0.815550D+01  0.959995D+01
      5  -0.781943D+01  0.709420D+01 -0.802833D+01  0.228775D+02 -0.693106D+01
      6   0.117499D+01 -0.101905D+01  0.145912D+01 -0.136686D+01  0.207277D+01
               216           217           218           219           220 
      1   0.159935D+02  0.186466D+02 -0.220313D+01 -0.123506D+02 -0.571966D+01
      2  -0.114516D+02 -0.134842D+02  0.157613D+01  0.809112D+01  0.363787D+01
      3  -0.454194D+01 -0.516242D+01  0.626998D+00  0.425948D+01  0.208178D+01
      4  -0.634678D+01 -0.193404D+01  0.418689D+01 -0.222006D+01  0.677459D+01
      5   0.136221D+02 -0.147899D+02 -0.192061D+01  0.225551D+02 -0.436765D+00
      6  -0.196782D+01 -0.110732D+01 -0.685855D+00 -0.423890D+00 -0.188007D+01
               221           222           223           224           225 
      1   0.229916D+01 -0.254879D+00 -0.222190D+02 -0.211809D+01  0.135741D+02
      2  -0.159625D+01  0.537017D+00  0.180905D+02  0.102146D+01 -0.219956D+02
      3  -0.702914D+00 -0.282138D+00  0.412847D+01  0.109663D+01  0.842159D+01
      4   0.170400D+01 -0.510798D+01 -0.230142D+01 -0.711576D+01  0.158497D+00
      5  -0.459579D+01 -0.359506D+01  0.318242D+02 -0.580893D-01 -0.503683D+02
      6   0.183146D-01  0.491226D+01  0.122943D+01  0.418049D+01 -0.237960D+01
               226           227           228           229           230 
      1  -0.154510D+02 -0.177248D+02 -0.196317D+00 -0.139334D+02 -0.182658D+02
      2   0.155104D+02  0.215632D+02  0.117749D+00  0.146512D+02  0.259370D+02
      3  -0.593342D-01 -0.383847D+01  0.785674D-01 -0.717747D+00 -0.767114D+01
      4   0.870596D+01  0.211806D+01 -0.297822D+01  0.647850D+01 -0.798637D-01
      5   0.562428D+01  0.584490D+00  0.113059D+01  0.273640D+01  0.229046D+01
      6  -0.454524D+00  0.423250D+01  0.314741D+01  0.146640D+01  0.225208D+01
               231           232           233           234           235 
      1  -0.660991D+00  0.147743D+01  0.113726D+01 -0.602811D+01  0.379568D+01
      2  -0.145913D+01 -0.135292D+01 -0.233446D+01 -0.580842D+00 -0.250856D+01
      3   0.212012D+01 -0.124516D+00  0.119721D+01  0.660896D+01 -0.128711D+01
      4   0.429189D+00 -0.328819D+01  0.370046D+01 -0.240422D+01 -0.779926D+01
      5   0.699957D+00  0.409770D+01 -0.409030D+01  0.593806D+01 -0.786225D+01
      6   0.335502D+01  0.503291D+00  0.552354D+01 -0.217031D+01  0.427146D+01
               236           237           238           239           240 
      1  -0.271252D+01 -0.446008D+01 -0.402664D+00 -0.223757D+01 -0.261909D+01
      2   0.431349D+00  0.468586D+01 -0.513825D+00  0.684627D+00  0.456719D+01
      3   0.228117D+01 -0.225784D+00  0.916489D+00  0.155294D+01 -0.194810D+01
      4   0.790701D+01  0.496586D+01  0.509099D+01 -0.293682D+01 -0.365465D+01
      5   0.292810D+01  0.136528D+02 -0.198132D+00 -0.339680D+01 -0.528708D+01
      6  -0.205363D+01 -0.758973D+01 -0.115286D+01  0.397582D+01  0.961896D+01
               241           242           243           244           245 
      1  -0.400474D+01 -0.550224D+01 -0.899020D+01  0.256082D+02 -0.126971D+02
      2   0.619023D+01  0.443995D+01 -0.122249D+02  0.142083D+01 -0.881389D+01
      3  -0.218549D+01  0.106228D+01  0.212151D+02 -0.270291D+02  0.215110D+02
      4   0.818917D+01 -0.101944D+02 -0.135129D+02 -0.359218D+02  0.325908D+02
      5   0.156832D+02 -0.106257D+02 -0.353328D+02  0.410246D+01 -0.197251D+01
      6  -0.973137D+01  0.146622D+02  0.303732D+02 -0.467079D+01  0.305177D+01
               246           247           248           249           250 
      1   0.727985D+01 -0.849668D+01  0.317579D+01 -0.466902D+00  0.964946D+01
      2   0.197577D+01 -0.753830D+01  0.170906D+02 -0.470374D+01  0.540513D+00
      3  -0.925562D+01  0.160350D+02 -0.202664D+02  0.517064D+01 -0.101900D+02
      4  -0.752231D+01  0.255519D+02 -0.289801D+02  0.807714D+01 -0.162624D+02
      5   0.435475D+01 -0.226899D+01  0.512230D+01 -0.377789D+01  0.105542D+02
      6  -0.546237D+01  0.338553D+01 -0.522407D+01  0.535106D+01 -0.849789D+01
               251           252           253           254           255 
      1  -0.174077D+01  0.279894D+01 -0.148674D+02  0.115781D+02 -0.260045D+01
      2  -0.853580D+01 -0.994921D+00  0.553442D+01 -0.216685D+01  0.104721D+01
      3   0.102766D+02 -0.180402D+01  0.933301D+01 -0.941125D+01  0.155324D+01
      4   0.176991D+02 -0.116430D+02  0.154584D+02 -0.172336D+02 -0.831130D+00
      5  -0.830919D+01  0.849707D+01 -0.151678D+01 -0.762836D+00 -0.170350D+02
      6   0.836754D+01 -0.696634D+01  0.109775D+00 -0.939861D-01  0.223154D+01
               256           257           258           259           260 
      1   0.506168D+01 -0.317619D+01 -0.219395D+01 -0.129062D+01 -0.685785D+00
      2  -0.489038D+01 -0.988420D+01  0.207459D+00  0.516387D+00  0.180234D+01
      3  -0.171296D+00  0.130604D+02  0.198649D+01  0.774233D+00 -0.111656D+01
      4  -0.286346D+02 -0.369297D+02  0.196049D+01  0.219014D+01  0.327867D+01
      5   0.113201D+01  0.167344D+01 -0.101632D+02  0.594486D+01 -0.558724D+01
      6  -0.103510D+01  0.792434D+00 -0.797357D+01  0.773691D+00  0.408256D+01
               261           262           263           264           265 
      1  -0.203755D+01 -0.261613D+02 -0.368182D+02  0.351321D+01 -0.570903D+02
      2  -0.595591D+01  0.178373D+02  0.168597D+02 -0.209679D+01  0.274269D+02
      3   0.799346D+01  0.832401D+01  0.199586D+02 -0.141641D+01  0.296634D+02
      4  -0.525544D+01 -0.408143D+02  0.737779D+01  0.133019D+01 -0.410209D+01
      5   0.328262D+01  0.332983D+01  0.120553D+01  0.553110D+01  0.125891D+01
      6   0.187423D+01 -0.886656D+00 -0.598862D+00 -0.238717D+01 -0.118048D+00
               266           267           268           269           270 
      1  -0.185502D+01  0.201955D+01  0.652316D+01  0.238572D+01  0.504237D+01
      2   0.183496D+01 -0.355235D+01 -0.252268D+01 -0.431915D+01 -0.564086D+01
      3   0.200561D-01  0.153280D+01 -0.400048D+01  0.193343D+01  0.598498D+00
      4   0.181721D+02  0.372128D+01  0.186144D+01  0.459618D+01  0.368044D+02
      5   0.413661D+01  0.334757D+02 -0.839590D+01  0.389756D+02 -0.887742D+01
      6  -0.188557D+01 -0.110886D+02  0.524027D+01 -0.147791D+02  0.298747D+01
               271           272           273           274           275 
      1   0.162293D+02  0.119357D+02 -0.171307D+01  0.349089D+02 -0.108622D+02
      2  -0.504592D+01 -0.395074D+01  0.532787D+00 -0.988309D+01  0.325565D+02
      3  -0.111834D+02 -0.798498D+01  0.118028D+01 -0.250258D+02 -0.216943D+02
      4   0.183805D+02  0.217716D+02 -0.625903D+00  0.350686D+02  0.719636D+02
      5  -0.113974D+01 -0.582164D+00  0.107363D+02 -0.716462D-01 -0.298382D+01
      6  -0.302288D+00  0.174435D+00  0.343512D+00  0.913857D+00 -0.394870D+00
               276           277           278           279           280 
      1   0.193634D+01 -0.372000D+01  0.126563D+01 -0.131770D+01  0.760191D+01
      2  -0.107690D+01  0.107734D+01 -0.950359D+00 -0.140496D+00 -0.468155D+01
      3  -0.859444D+00  0.264266D+01 -0.315272D+00  0.145820D+01 -0.292036D+01
      4  -0.300358D+01 -0.184593D+01 -0.369144D+01  0.159904D+02 -0.222008D+01
      5   0.153540D+02  0.141519D+02  0.147611D+02 -0.953563D+00  0.820332D+01
      6   0.141935D+02  0.283358D+01  0.117947D+02 -0.369774D+01 -0.342587D+01
               281           282           283           284           285 
      1  -0.270261D+01  0.844724D+01 -0.720864D+01 -0.368369D+00  0.205071D+01
      2   0.154664D+01 -0.423783D+01  0.255120D+01  0.506922D+01 -0.222368D+01
      3   0.115597D+01 -0.420941D+01  0.465743D+01 -0.470085D+01  0.172971D+00
      4   0.262917D+01 -0.359241D+01  0.138619D+02 -0.284008D+02  0.156512D+02
      5  -0.295079D+01  0.502712D+01 -0.669283D+01  0.160979D+02 -0.224741D+02
      6   0.280220D+00 -0.439515D+00  0.306169D+01 -0.937173D+01  0.110036D+02
               286           287           288           289           290 
      1   0.178924D+02 -0.133989D+00 -0.262045D+01  0.100853D+03  0.200095D+02
      2  -0.100032D+02 -0.781968D+00 -0.448631D+01 -0.536729D+02 -0.115982D+02
      3  -0.788922D+01  0.915957D+00  0.710676D+01 -0.471804D+02 -0.841131D+01
      4  -0.122270D+02  0.210462D+02 -0.234298D+02  0.147803D+02  0.146860D+02
      5   0.167899D+02 -0.248921D+02  0.413827D+02 -0.139297D+01 -0.421926D+00
      6  -0.506712D+01  0.126214D+02 -0.145843D+02  0.794654D+00  0.427423D+00
               291           292           293           294           295 
      1  -0.248654D+01  0.417717D+02  0.156253D+02 -0.737025D+00 -0.569204D+01
      2   0.110770D+01 -0.222944D+02 -0.757254D+01  0.690100D+00  0.298641D+01
      3   0.137884D+01 -0.194772D+02 -0.805272D+01  0.469247D-01  0.270563D+01
      4  -0.430670D+00  0.174626D+02  0.141202D+02 -0.106822D+01 -0.509317D+00
      5   0.137656D+02 -0.474736D+00 -0.978752D+00  0.377285D+01  0.151388D+02
      6  -0.832744D+00  0.413672D+00  0.421337D+00  0.204840D+01 -0.283941D+00
               296           297           298           299           300 
      1  -0.988945D+00  0.107218D+02  0.670207D+01 -0.363457D+01 -0.771131D+01
      2   0.900539D+00 -0.643174D+01 -0.288635D+01  0.203770D+01  0.356258D+01
      3   0.884059D-01 -0.429009D+01 -0.381572D+01  0.159686D+01  0.414872D+01
      4  -0.161888D+01 -0.323459D+00 -0.235208D+01  0.225716D+01  0.261892D+01
      5   0.112954D+00 -0.801811D+00 -0.668226D+01  0.180096D+01  0.203359D+01
      6   0.266131D+01 -0.869907D-01  0.325406D+01  0.271980D+00  0.387077D+00
               301           302           303           304           305 
      1  -0.946459D+01 -0.151015D+01 -0.318251D+01 -0.167540D+02 -0.111958D+01
      2   0.278546D+01  0.988728D+01  0.511667D+01  0.801873D+01  0.425797D+01
      3   0.667912D+01 -0.837713D+01 -0.193416D+01  0.873525D+01 -0.313839D+01
      4   0.157083D+02 -0.365157D+02 -0.169694D+02  0.109684D+02 -0.231619D+02
      5   0.513207D+01 -0.178487D+02 -0.221417D+02  0.127908D+02 -0.243349D+02
      6  -0.275159D+01  0.102712D+02  0.103417D+02 -0.440470D+01  0.122585D+02
               306 
      1  -0.301487D+01
      2  -0.303947D+00
      3   0.331881D+01
      4  -0.227121D+02
      5  -0.295445D+02
      6   0.117081D+02
 Leave Link  716 at Sat Jul 10 00:27:46 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.165719D+03 -0.209761D+01 -0.765993D+00
      2  -0.209761D+01  0.139964D+03 -0.457057D+00
      3  -0.765993D+00 -0.457057D+00  0.134183D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.233956D+00  0.999404D+00  0.809778D+01
      2  -0.205063D+00 -0.446110D+01 -0.506903D+02
      3  -0.550585D+01  0.239285D+02  0.359551D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.145544D+02  0.455570D+01 -0.488391D+00
      2   0.119512D+02  0.437275D+01 -0.113283D+02
      3   0.260322D+01 -0.892845D+01  0.118167D+02
      4  -0.110125D+02 -0.546445D+02 -0.130630D+02
      5   0.654236D+01 -0.119828D+02 -0.106424D+03
      6  -0.509187D+01  0.105177D+01 -0.331784D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308761D+01  0.306097D+01  0.387937D+01  0.257170D+01  0.656777D+00
      2   0.306097D+01  0.105028D+01  0.800873D-01  0.656777D+00 -0.320396D+01
      3   0.387937D+01  0.800873D-01 -0.300946D+01  0.105036D+01 -0.260386D+00
                 6             7             8             9            10 
      1   0.105036D+01  0.242033D+01  0.167205D+00 -0.200690D+01 -0.258646D+01
      2  -0.260386D+00  0.167205D+00  0.328619D+00  0.186996D+01  0.424935D+01
      3   0.346104D+01 -0.200690D+01  0.186996D+01  0.346796D+01 -0.140112D+01
                11            12            13            14            15 
      1   0.424935D+01 -0.140112D+01  0.346876D+01  0.616736D-01 -0.143153D+01
      2   0.312914D-01 -0.145642D+01  0.616736D-01  0.431093D+00 -0.322691D+01
      3  -0.145642D+01  0.196183D+01 -0.143153D+01 -0.322691D+01 -0.271977D+01
                16            17            18            19            20 
      1  -0.793872D+00 -0.162317D+01  0.111704D+01 -0.227737D+01 -0.275947D+01
      2  -0.162317D+01 -0.289585D+01 -0.131469D+01 -0.275947D+01 -0.367923D+00
      3   0.111704D+01 -0.131469D+01  0.113482D+01 -0.251883D+01  0.113219D+01
                21            22            23            24            25 
      1  -0.251883D+01 -0.321985D+01 -0.710865D-01  0.185474D+00 -0.132187D+01
      2   0.113219D+01 -0.710865D-01  0.420976D+01  0.688558D+00 -0.561002D+00
      3  -0.262777D+01  0.185474D+00  0.688558D+00  0.204674D+01  0.379756D+01
                26            27            28            29            30 
      1  -0.561002D+00  0.379756D+01  0.860597D+00  0.189537D+01  0.174952D+01
      2   0.359333D+00 -0.169553D+01  0.189537D+01 -0.137559D+00 -0.490992D-01
      3  -0.169553D+01 -0.691144D+01  0.174952D+01 -0.490992D-01 -0.299189D+01
                31            32            33            34            35 
      1   0.238966D+01 -0.631336D+00 -0.965706D+00  0.340657D+00  0.112307D+00
      2  -0.631336D+00 -0.534166D+01  0.180083D+01  0.112307D+00  0.580410D+00
      3  -0.965706D+00  0.180083D+01  0.554067D+00 -0.306851D+01  0.129061D+01
                36            37            38            39            40 
      1  -0.306851D+01 -0.433349D+01  0.151174D+01 -0.149729D+01  0.269428D+01
      2   0.129061D+01  0.151174D+01  0.917793D+00 -0.994600D+00 -0.263841D+00
      3   0.138538D+01 -0.149729D+01 -0.994600D+00  0.280977D+01 -0.794154D+00
                41            42            43            44            45 
      1  -0.263841D+00 -0.794154D+00  0.465123D+00 -0.914643D+00  0.164711D+01
      2  -0.767281D+00 -0.268824D+01 -0.914643D+00 -0.153403D+01 -0.187239D+01
      3  -0.268824D+01 -0.180462D+01  0.164711D+01 -0.187239D+01  0.205769D+01
                46            47            48            49            50 
      1   0.200106D+01 -0.476681D+01  0.282934D+01 -0.625262D+01  0.968826D+00
      2  -0.476681D+01  0.115981D+01  0.932259D+00  0.968826D+00  0.533697D+00
      3   0.282934D+01  0.932259D+00 -0.692781D+00  0.721312D+00  0.373791D+01
                51            52            53            54            55 
      1   0.721312D+00  0.357969D+01 -0.200329D-02 -0.171703D+00 -0.584732D+01
      2   0.373791D+01 -0.200329D-02  0.436727D+01  0.189667D+01 -0.282325D+01
      3   0.212289D+01 -0.171703D+00  0.189667D+01 -0.399076D+01 -0.281692D+01
                56            57            58            59            60 
      1  -0.282325D+01 -0.281692D+01 -0.226252D+01 -0.202426D+01 -0.126016D+01
      2  -0.254196D+01 -0.161310D+01 -0.202426D+01 -0.212727D+01 -0.124838D+01
      3  -0.161310D+01 -0.216919D+01 -0.126016D+01 -0.124838D+01 -0.172052D+01
                61            62            63            64            65 
      1  -0.185351D+01 -0.917378D+00 -0.178558D+01  0.206223D+01 -0.132896D+01
      2  -0.917378D+00 -0.100155D+01 -0.119062D+01 -0.132896D+01  0.142144D+01
      3  -0.178558D+01 -0.119062D+01 -0.274616D+01 -0.244190D+01  0.122741D+01
                66            67            68            69            70 
      1  -0.244190D+01 -0.959408D+00  0.896761D+00 -0.213983D+00 -0.195769D+01
      2   0.122741D+01  0.896761D+00 -0.128694D+01 -0.974184D+00  0.809231D+00
      3   0.420181D+01 -0.213983D+00 -0.974184D+00 -0.337369D+01  0.182393D+01
                71            72            73            74            75 
      1   0.809231D+00  0.182393D+01  0.557619D+01 -0.299207D+01  0.262940D+00
      2  -0.183486D+01 -0.202323D+01 -0.299207D+01  0.337572D+01  0.273084D+00
      3  -0.202323D+01 -0.769501D+01  0.262940D+00  0.273084D+00  0.826924D+00
                76            77            78            79            80 
      1  -0.217076D+01  0.223200D+01  0.186653D+00  0.881952D-01  0.220853D+00
      2   0.223200D+01 -0.340104D+01  0.268797D+00  0.220853D+00  0.210914D+00
      3   0.186653D+00  0.268797D+00 -0.445952D+00  0.683658D+00 -0.608207D+00
                81            82            83            84            85 
      1   0.683658D+00 -0.251756D+01 -0.239115D+01  0.821660D+00 -0.205468D+01
      2  -0.608207D+00 -0.239115D+01 -0.308185D+01  0.105943D+01 -0.218953D+01
      3  -0.201672D+00  0.821660D+00  0.105943D+01 -0.171328D+01  0.645438D+00
                86            87            88            89            90 
      1  -0.218953D+01  0.645438D+00  0.958516D+00  0.996823D+00 -0.945192D+00
      2  -0.536854D+01  0.178051D+01  0.996823D+00  0.232906D+01 -0.142835D+01
      3   0.178051D+01 -0.118267D+01 -0.945192D+00 -0.142835D+01  0.159777D+01
                91            92            93            94            95 
      1  -0.955351D+00  0.533480D+01 -0.872556D+00  0.648425D+01 -0.428771D+00
      2   0.533480D+01 -0.123927D+01 -0.203526D+00 -0.428771D+00 -0.372662D+01
      3  -0.872556D+00 -0.203526D+00 -0.106794D+01  0.351090D+00 -0.282143D+01
                96            97            98            99           100 
      1   0.351090D+00 -0.118895D+01  0.428813D+00 -0.311286D+01 -0.290660D+01
      2  -0.282143D+01  0.428813D+00 -0.266893D+01  0.144263D+00  0.145060D+01
      3  -0.687590D+00 -0.311286D+01  0.144263D+00  0.802924D+01 -0.150105D+01
               101           102           103           104           105 
      1   0.145060D+01 -0.150105D+01  0.158865D+01 -0.120950D+01  0.519312D+00
      2  -0.101701D+01  0.193468D+00 -0.120950D+01  0.179145D+01 -0.167990D+01
      3   0.193468D+00  0.796721D-01  0.519312D+00 -0.167990D+01  0.483405D+00
               106           107           108           109           110 
      1  -0.181443D+01  0.703596D+00 -0.241999D+01  0.437134D+00  0.932572D+00
      2   0.703596D+00 -0.158772D+01  0.172745D+01  0.932572D+00  0.511622D+00
      3  -0.241999D+01  0.172745D+01 -0.402517D+01 -0.802563D-01 -0.387658D+00
               111           112           113           114           115 
      1  -0.802563D-01  0.147717D+01  0.874295D+00 -0.105304D+00 -0.269151D+00
      2  -0.387658D+00  0.874295D+00  0.808434D+01 -0.221320D+01  0.433589D-01
      3   0.105321D+01 -0.105304D+00 -0.221320D+01  0.197813D+01 -0.761524D-01
               116           117           118           119           120 
      1   0.433589D-01 -0.761524D-01  0.410758D+01 -0.734692D+00 -0.173794D+01
      2  -0.126468D+01  0.163645D+01 -0.734692D+00  0.727591D+00 -0.400629D+00
      3   0.163645D+01 -0.227031D+01 -0.173794D+01 -0.400629D+00  0.457596D+01
               121           122           123           124           125 
      1  -0.152621D+01  0.508270D+00  0.113414D+01 -0.278685D+01  0.145744D+00
      2   0.508270D+00  0.697987D-01 -0.126613D+01  0.145744D+00 -0.958541D+00
      3   0.113414D+01 -0.126613D+01 -0.808861D+00  0.256672D+01 -0.285080D+00
               126           127           128           129           130 
      1   0.256672D+01  0.205218D+01  0.898063D+00  0.981202D+00  0.224413D+01
      2  -0.285080D+00  0.898063D+00  0.170740D+00  0.373358D+00  0.181311D+00
      3  -0.538254D+01  0.981202D+00  0.373358D+00  0.186912D+00  0.559530D+00
               131           132           133           134           135 
      1   0.181311D+00  0.559530D+00  0.143442D+01  0.415368D+00  0.383971D+00
      2   0.312471D+01  0.167567D+01  0.415368D+00  0.178283D+01  0.159795D+01
      3   0.167567D+01  0.229696D+01  0.383971D+00  0.159795D+01  0.271582D+01
               136           137           138           139           140 
      1   0.279346D+00 -0.206513D+01  0.580459D+00 -0.551556D+01  0.442081D+00
      2  -0.206513D+01 -0.140228D+01 -0.227290D+00  0.442081D+00 -0.199556D+01
      3   0.580459D+00 -0.227290D+00 -0.156733D+01 -0.158446D-01  0.626326D+00
               141           142           143           144           145 
      1  -0.158446D-01  0.601272D+00 -0.220975D+00 -0.406558D+00 -0.346433D+00
      2   0.626326D+00 -0.220975D+00  0.217474D+00 -0.596647D+00  0.484419D+01
      3  -0.366488D+00 -0.406558D+00 -0.596647D+00  0.437279D+00 -0.398714D+01
               146           147           148           149           150 
      1   0.484419D+01 -0.398714D+01  0.489900D+01 -0.271467D+00 -0.170435D+00
      2  -0.411505D+00  0.129230D+00 -0.271467D+00 -0.136860D+01 -0.427399D+01
      3   0.129230D+00 -0.113933D+01 -0.170435D+00 -0.427399D+01 -0.160441D+01
               151           152           153           154           155 
      1  -0.310001D+01 -0.482965D-01  0.109557D+00 -0.110332D+00 -0.387529D+01
      2  -0.482965D-01 -0.335817D+01 -0.174144D+01 -0.387529D+01  0.358933D+00
      3   0.109557D+00 -0.174144D+01  0.283940D+01  0.166188D+01 -0.302519D+00
               156           157           158           159           160 
      1   0.166188D+01 -0.489320D+01  0.112983D+01 -0.100397D+01  0.247391D+01
      2  -0.302519D+00  0.112983D+01  0.423925D+01  0.239532D+01 -0.934512D+00
      3   0.176838D+01 -0.100397D+01  0.239532D+01 -0.107062D+01  0.449476D+01
               161           162           163           164           165 
      1  -0.934512D+00  0.449476D+01 -0.159609D+00 -0.512824D+01  0.139515D+01
      2   0.242774D+01 -0.892660D+00 -0.512824D+01  0.477483D+00 -0.778257D+00
      3  -0.892660D+00 -0.408726D+01  0.139515D+01 -0.778257D+00  0.173632D+01
               166           167           168           169           170 
      1  -0.485853D+01  0.821012D-01 -0.125038D+01  0.230314D+01 -0.142549D+01
      2   0.821012D-01  0.215857D+01  0.296946D+01 -0.142549D+01  0.330431D+01
      3  -0.125038D+01  0.296946D+01 -0.830495D+00  0.377358D+01 -0.198946D+01
               171           172           173           174           175 
      1   0.377358D+01  0.481591D+01 -0.260878D+01  0.299694D+01 -0.266104D+01
      2  -0.198946D+01 -0.260878D+01  0.212796D+01 -0.175132D+01  0.178759D+01
      3  -0.346431D+01  0.299694D+01 -0.175132D+01  0.401308D+01 -0.123130D+01
               176           177           178           179           180 
      1   0.178759D+01 -0.123130D+01  0.160820D+01 -0.729150D+00  0.178157D+01
      2  -0.236323D+01  0.213576D+01 -0.729150D+00  0.116351D+01 -0.123471D+01
      3   0.213576D+01 -0.209774D+01  0.178157D+01 -0.123471D+01  0.236329D+01
               181           182           183           184           185 
      1  -0.420614D+01 -0.229610D+01  0.229596D+01 -0.246480D+01 -0.159969D+01
      2  -0.229610D+01 -0.189946D+01  0.143622D+01 -0.159969D+01 -0.221291D+01
      3   0.229596D+01  0.143622D+01 -0.314857D+01  0.100132D+01  0.199618D+01
               186           187           188           189           190 
      1   0.100132D+01  0.166133D+01  0.734067D+00 -0.162666D+01  0.144282D+00
      2   0.199618D+01  0.734067D+00  0.113128D+01 -0.104526D+01  0.277206D+00
      3  -0.203725D+01 -0.162666D+01 -0.104526D+01  0.209572D+01  0.107956D+01
               191           192           193           194           195 
      1   0.277206D+00  0.107956D+01  0.677770D+00  0.354465D-01  0.251023D+00
      2   0.973301D-01  0.163871D+00  0.354465D-01  0.407744D+01  0.268991D+01
      3   0.163871D+00  0.200314D+00  0.251023D+00  0.268991D+01  0.440500D+01
               196           197           198           199           200 
      1   0.767392D+00  0.985208D-01 -0.394372D-01 -0.449819D+00 -0.987978D+00
      2   0.985208D-01  0.193558D+01  0.240636D+01 -0.987978D+00 -0.927703D+00
      3  -0.394372D-01  0.240636D+01  0.374359D+01 -0.518259D+00 -0.972669D-01
               201           202           203           204           205 
      1  -0.518259D+00 -0.210326D+01 -0.178189D+01  0.275445D+00 -0.114181D+01
      2  -0.972669D-01 -0.178189D+01 -0.603003D+01 -0.131408D+01 -0.203161D-01
      3  -0.178081D+00  0.275445D+00 -0.131408D+01 -0.496718D+00 -0.970177D+00
               206           207           208           209           210 
      1  -0.203161D-01 -0.970177D+00 -0.725876D+01  0.190420D+01 -0.175284D+01
      2  -0.129886D+01 -0.585761D+00  0.190420D+01 -0.108849D+01  0.201715D+00
      3  -0.585761D+00 -0.113779D+01 -0.175284D+01  0.201715D+00 -0.583689D+00
               211           212           213           214           215 
      1   0.393746D+01 -0.185532D+01  0.836755D+00 -0.399841D+01  0.930264D+00
      2  -0.185532D+01  0.130652D+01 -0.879829D+00  0.930264D+00 -0.113897D+01
      3   0.836755D+00 -0.879829D+00  0.858510D+00 -0.249724D+01  0.796197D+00
               216           217           218           219           220 
      1  -0.249724D+01 -0.257816D+01  0.365229D+00  0.154486D+01  0.857588D+00
      2   0.796197D+00  0.365229D+00 -0.403162D+00  0.311777D+00 -0.745800D+00
      3  -0.148052D+01  0.154486D+01  0.311777D+00 -0.247344D+01  0.970486D-01
               221           222           223           224           225 
      1  -0.745800D+00  0.970486D-01  0.357731D+01  0.227698D+00 -0.353010D+01
      2  -0.234427D+00  0.617481D+00  0.227698D+00  0.852063D+00 -0.562385D-01
      3   0.617481D+00  0.533399D+00 -0.353010D+01 -0.562385D-01  0.678813D+01
               226           227           228           229           230 
      1   0.396702D+01  0.200127D+01 -0.578209D+00  0.208365D+01  0.185975D+01
      2   0.200127D+01  0.291372D+01  0.446862D+00  0.185975D+01  0.339593D+01
      3  -0.578209D+00  0.446862D+00  0.399211D+00 -0.314879D-01 -0.749102D-01
               231           232           233           234           235 
      1  -0.314879D-01 -0.802540D+00  0.331358D+00 -0.151884D+00 -0.123754D+01
      2  -0.749102D-01  0.331358D+00 -0.741964D+00  0.108228D+01  0.105785D+01
      3   0.311622D+00 -0.151884D+00  0.108228D+01 -0.971565D+00  0.113634D+01
               236           237           238           239           240 
      1   0.105785D+01  0.113634D+01  0.494365D+00 -0.432463D+00  0.773872D-01
      2  -0.710878D+00 -0.331998D+00 -0.432463D+00  0.424172D+00  0.811525D+00
      3  -0.331998D+00 -0.181396D+01  0.773872D-01  0.811525D+00  0.996583D+00
               241           242           243           244           245 
      1   0.164173D+01 -0.817183D+00 -0.218653D+01 -0.488543D+01  0.366746D+01
      2  -0.817183D+00  0.208807D+01  0.215203D+01  0.366746D+01 -0.358477D+01
      3  -0.218653D+01  0.215203D+01  0.762530D+01 -0.967970D+00  0.551774D+00
               246           247           248           249           250 
      1  -0.967970D+00  0.269943D+01 -0.270829D+01  0.658697D+00 -0.231960D+01
      2   0.551774D+00 -0.270829D+01  0.387751D+01 -0.118580D+01  0.169424D+01
      3  -0.678656D+00  0.658697D+00 -0.118580D+01  0.661471D+00 -0.174879D+01
               251           252           253           254           255 
      1   0.169424D+01 -0.174879D+01  0.305047D+01  0.188778D+01 -0.501889D+00
      2  -0.262496D+01  0.148864D+01  0.188778D+01  0.855171D+00 -0.600251D-03
      3   0.148864D+01 -0.137050D+01 -0.501889D+00 -0.600251D-03  0.402719D+00
               256           257           258           259           260 
      1  -0.126470D+00 -0.230875D+01 -0.116374D+00 -0.285139D+00  0.191349D+00
      2  -0.230875D+01 -0.427759D+01  0.301960D+00  0.191349D+00  0.362270D+00
      3  -0.116374D+00  0.301960D+00 -0.335596D+00  0.794559D+00 -0.852119D+00
               261           262           263           264           265 
      1   0.794559D+00 -0.214479D+01 -0.440920D+01  0.369009D+00 -0.624219D+01
      2  -0.852119D+00 -0.440920D+01  0.187933D+00  0.164343D+00 -0.994089D+00
      3   0.380140D+00  0.369009D+00  0.164343D+00  0.408494D+00  0.175678D+00
               266           267           268           269           270 
      1  -0.994089D+00  0.175678D+00  0.683937D+00  0.269273D+00 -0.111948D+01
      2   0.278013D+01  0.450470D+00  0.269273D+00  0.583490D+00  0.468782D+01
      3   0.450470D+00  0.410865D+01 -0.111948D+01  0.468782D+01 -0.119199D+01
               271           272           273           274           275 
      1   0.128264D+01  0.229870D+01 -0.266109D+00  0.742152D+01  0.335619D+01
      2   0.229870D+01  0.121062D+01  0.739080D-02  0.335619D+01  0.989182D+01
      3  -0.266109D+00  0.739080D-02  0.143554D+00  0.815493D-01 -0.506990D+00
               276           277           278           279           280 
      1   0.815493D-01 -0.672857D+00 -0.765160D-01  0.854366D+00  0.957987D+00
      2  -0.506990D+00 -0.765160D-01 -0.645994D+00  0.259994D+01 -0.140680D+00
      3   0.165667D+01  0.854366D+00  0.259994D+01 -0.121932D+01  0.914636D+00
               281           282           283           284           285 
      1  -0.140680D+00  0.914636D+00 -0.134373D+01  0.133190D+01 -0.593881D+00
      2  -0.308864D-01 -0.762241D-01  0.133190D+01 -0.352523D+01  0.191549D+01
      3  -0.762241D-01  0.367183D-01 -0.593881D+00  0.191549D+01 -0.259215D+01
               286           287           288           289           290 
      1   0.258076D+01 -0.111872D+01  0.157204D+01  0.931247D+01  0.189058D+01
      2  -0.111872D+01  0.259000D+01 -0.299631D+01  0.189058D+01  0.138466D+01
      3   0.157204D+01 -0.299631D+01  0.514438D+01 -0.240642D+00 -0.334332D-01
               291           292           293           294           295 
      1  -0.240642D+00  0.429560D+01  0.162926D+01 -0.516645D-01 -0.560677D+00
      2  -0.334332D-01  0.162926D+01  0.141248D+01 -0.135999D+00 -0.696983D-01
      3   0.106962D+01 -0.516645D-01 -0.135999D+00  0.328688D+00  0.134462D+01
               296           297           298           299           300 
      1  -0.696983D-01  0.134462D+01  0.806439D+00 -0.220129D+00 -0.817900D+00
      2  -0.182131D+00 -0.113728D+00 -0.220129D+00 -0.135398D+00  0.194717D-01
      3  -0.113728D+00 -0.187615D-01 -0.817900D+00  0.194717D-01 -0.191396D-01
               301           302           303           304           305 
      1  -0.163016D+01  0.148203D+01  0.427973D+00 -0.231854D+01  0.958979D+00
      2   0.148203D+01 -0.457778D+01 -0.211180D+01  0.958979D+00 -0.287701D+01
      3   0.427973D+00 -0.211180D+01 -0.262869D+01  0.111871D+01 -0.285420D+01
               306 
      1   0.111871D+01
      2  -0.285420D+01
      3  -0.364086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.299526D+01 -0.127800D+01 -0.728963D+01 -0.161913D+01  0.102326D+02
      2   0.179549D+01  0.861252D+01  0.159798D+02  0.538167D+01  0.236996D+01
      3  -0.575383D+00 -0.627027D+01 -0.645049D+01 -0.184484D+01 -0.773756D+01
                 6             7             8             9            10 
      1   0.253914D+01 -0.682406D+01  0.874255D+01 -0.997941D+01 -0.111418D+01
      2  -0.365674D+01  0.550701D+01 -0.118925D+01 -0.162355D+02  0.185904D+01
      3  -0.475217D+00 -0.345404D+01 -0.314452D+00  0.811081D+01  0.846677D+01
                11            12            13            14            15 
      1  -0.498111D+01  0.562175D+01 -0.515970D+01 -0.839415D+01 -0.100986D+02
      2  -0.552528D+00  0.276167D+01 -0.276189D+00  0.209621D+01  0.196941D+01
      3  -0.140298D+02  0.137655D+01 -0.743876D+01  0.193427D+00  0.295715D+01
                16            17            18            19            20 
      1   0.408261D+01 -0.247292D+01  0.718987D+01  0.829869D+01 -0.749532D+00
      2  -0.158390D+01  0.733754D+00  0.146743D+01  0.138412D+00 -0.930346D+01
      3  -0.216224D-01  0.232532D+01 -0.502002D+01 -0.632694D+01 -0.562760D+01
                21            22            23            24            25 
      1   0.429796D+01  0.689687D+00 -0.897724D+01 -0.786059D+01  0.109763D+01
      2   0.126648D+02 -0.811616D+01  0.490011D+00 -0.872980D+01 -0.864117D+01
      3   0.831309D+00  0.185818D+01  0.687263D+01 -0.545841D+00 -0.128561D+01
                26            27            28            29            30 
      1   0.506946D+00  0.988372D+01 -0.822705D+01  0.184638D-01  0.418754D+01
      2  -0.865568D+00  0.254437D+02  0.348500D+01  0.427349D+01  0.371586D+01
      3   0.258199D+00 -0.295805D+00  0.221700D+01  0.181353D+01  0.410836D+01
                31            32            33            34            35 
      1  -0.122502D-01  0.982247D+01 -0.731174D+01  0.547856D+01 -0.694363D+00
      2   0.855447D+01 -0.264499D+01  0.395933D+01 -0.310180D+01  0.127006D+01
      3   0.868309D+01  0.261485D+01 -0.647237D+00  0.350930D+01 -0.368733D+00
                36            37            38            39            40 
      1  -0.271051D+01  0.111568D+01  0.101238D+01 -0.198823D+01 -0.663351D+00
      2  -0.117138D+02  0.419555D+01 -0.281870D+01  0.244031D+01 -0.519333D+01
      3  -0.518421D+01 -0.187563D+01  0.339776D+01  0.977142D+00  0.593916D+01
                41            42            43            44            45 
      1   0.145453D+01 -0.246020D+01 -0.448646D+01  0.156969D+01 -0.435255D+01
      2  -0.825642D+00 -0.415103D+01 -0.492614D+01 -0.198061D+01  0.750924D+00
      3   0.987267D+00  0.742306D+00 -0.665854D+00 -0.898709D-01  0.103390D+01
                46            47            48            49            50 
      1  -0.282467D+01  0.488576D+00  0.255354D+00  0.165357D+01  0.411497D+01
      2  -0.119420D+01  0.359664D+01  0.309629D+01  0.403351D+01 -0.292105D+01
      3  -0.294844D+01  0.606818D+00 -0.129829D+01  0.824334D+01 -0.160196D+01
                51            52            53            54            55 
      1   0.146703D+01  0.366423D+00  0.987122D+01  0.120582D+01  0.223922D+01
      2  -0.152786D+01 -0.877872D+01 -0.726249D+00  0.296704D+01 -0.104079D+02
      3   0.154797D+01 -0.183391D+01  0.380905D+01  0.149948D+01  0.695661D+01
                56            57            58            59            60 
      1   0.457738D+01 -0.141472D+01  0.302327D+01  0.239447D+01 -0.105691D+01
      2  -0.335542D+01 -0.771724D+00 -0.355646D+01 -0.291958D+01  0.814585D+00
      3  -0.158264D+01  0.190670D+01  0.225843D+01 -0.815946D+00  0.382035D-01
                61            62            63            64            65 
      1  -0.243408D+00  0.981317D+00  0.435444D+00 -0.101905D+01 -0.256897D+01
      2  -0.202087D+01 -0.536408D+00  0.215662D+01  0.934391D+01 -0.423671D+01
      3   0.167925D+01 -0.630719D+00  0.385601D+00 -0.633030D+01  0.225448D+01
                66            67            68            69            70 
      1   0.408919D+01 -0.413055D+00 -0.357442D+00 -0.211990D+00  0.272972D+01
      2  -0.102114D+02 -0.115923D+01  0.255369D+01  0.669224D+01 -0.841094D+01
      3   0.575070D+01  0.360340D+01 -0.230542D+01 -0.235527D+01  0.478019D+01
                71            72            73            74            75 
      1   0.252365D+01 -0.452103D+01  0.132821D+01  0.384948D+00  0.367387D+01
      2   0.365095D+01  0.156471D+02  0.445368D+00 -0.339470D+00  0.123791D+01
      3  -0.274043D+01 -0.676096D+01 -0.189442D+02  0.737865D+01 -0.760005D+00
                76            77            78            79            80 
      1  -0.683881D-01  0.125753D+01 -0.207434D+01  0.162756D+01  0.183957D+00
      2  -0.365105D+00  0.747927D-01 -0.805764D+00 -0.172111D+01  0.289398D+00
      3   0.823034D+01 -0.683835D+01 -0.245989D+00 -0.276207D-01 -0.660985D+00
                81            82            83            84            85 
      1  -0.322461D+00  0.227971D+01  0.212653D+01 -0.490437D+01  0.201265D+01
      2   0.391332D-01 -0.203175D-01 -0.794859D+00  0.294128D+01  0.149409D+00
      3  -0.198166D+01  0.642360D+01  0.167012D+01 -0.179222D+01  0.484019D+01
                86            87            88            89            90 
      1   0.411943D+01 -0.466413D+01 -0.255130D+01 -0.120927D+01  0.435324D+01
      2  -0.103397D+01  0.205311D+01 -0.784573D+00  0.139845D+01 -0.198210D+01
      3   0.302450D-01 -0.607406D+00 -0.248932D+01 -0.532405D-01  0.123135D+01
                91            92            93            94            95 
      1   0.161668D+01  0.124196D+00  0.602872D-01  0.493808D+00  0.822183D+00
      2   0.718763D+00 -0.105003D-01  0.564662D+01 -0.183389D+01  0.574925D+01
      3   0.139515D+02 -0.335467D+01 -0.784893D+00  0.839727D+01 -0.100602D+02
                96            97            98            99           100 
      1  -0.400174D+01  0.126834D+01  0.277541D+01 -0.616055D+01 -0.293491D+01
      2   0.270081D+01  0.275079D+01  0.278878D+00 -0.198465D+02 -0.592157D+01
      3  -0.617353D+01  0.829133D+00 -0.579190D+01 -0.164450D+01 -0.875730D-01
               101           102           103           104           105 
      1   0.377317D+01 -0.158952D+01  0.230950D+01 -0.385652D+01  0.229532D+01
      2   0.393271D+01 -0.525460D+01  0.434158D+01 -0.388157D+00  0.221379D+01
      3  -0.245413D+01 -0.986118D+00  0.695821D+00  0.276842D+01 -0.217126D+01
               106           107           108           109           110 
      1  -0.821859D+00  0.523509D+01 -0.196123D+01 -0.187454D+01 -0.574544D+00
      2  -0.331999D+01 -0.193512D+00 -0.553639D-01 -0.735023D+00  0.210501D+01
      3  -0.804309D+00 -0.293630D+01  0.125045D+01  0.557828D+00  0.801787D+00
               111           112           113           114           115 
      1  -0.804587D+00 -0.128655D+01 -0.129087D+02 -0.142718D+01  0.827468D-01
      2  -0.156952D+01  0.270053D+01  0.280188D+01 -0.269137D+00 -0.307672D+00
      3  -0.737226D+00  0.539583D+01 -0.158860D+01 -0.246245D+00 -0.217065D+00
               116           117           118           119           120 
      1   0.663790D+00 -0.288982D+00  0.382323D+01 -0.200491D+01 -0.434031D+01
      2  -0.110232D+01  0.448228D+01  0.708551D+01  0.240958D+00 -0.496992D+01
      3  -0.580829D+00  0.120569D+01  0.435397D+01 -0.218997D+01 -0.428733D+01
               121           122           123           124           125 
      1  -0.208695D+01  0.207950D+01  0.247931D+01 -0.289747D+01  0.431760D+01
      2  -0.486852D+01  0.170538D+01 -0.191275D+01 -0.528998D+01 -0.716779D+00
      3  -0.995535D+00  0.182385D+01  0.905196D+00 -0.321231D+01  0.159121D+01
               126           127           128           129           130 
      1   0.641599D+01  0.677920D+00 -0.470748D-01 -0.725374D+00 -0.484792D-01
      2   0.451611D+01  0.160485D+00  0.378463D-01  0.722578D+00 -0.143716D+01
      3   0.434850D+01  0.136028D+01  0.781714D+00  0.580612D+00  0.571963D+01
               131           132           133           134           135 
      1   0.645513D+00 -0.248707D+01  0.435313D+00  0.100377D+01 -0.216460D+01
      2   0.201275D+01  0.164076D+01 -0.339944D+01  0.130298D+01  0.204466D+01
      3  -0.207447D+01 -0.109164D+01  0.195117D+01 -0.104273D+01 -0.343379D+00
               136           137           138           139           140 
      1  -0.510393D+00  0.180023D+00 -0.262741D+00  0.146632D+00 -0.155889D+01
      2  -0.964645D+00 -0.868870D+00  0.731457D+01  0.192310D+01  0.490838D+00
      3   0.126533D+02 -0.866056D+01  0.162220D+01  0.114203D+02  0.530039D+01
               141           142           143           144           145 
      1  -0.340808D+01  0.933156D+00  0.135903D+01  0.278227D+00  0.104813D+02
      2  -0.148313D+01 -0.713901D+01 -0.238090D+01  0.372507D+00  0.297319D+01
      3  -0.644459D+00 -0.365075D-01  0.280564D+00  0.171479D+01  0.319193D+01
               146           147           148           149           150 
      1  -0.686174D+00  0.428132D+00 -0.658778D+00 -0.796749D+01 -0.187057D+02
      2  -0.142990D+02  0.179491D+02 -0.133524D+02  0.281907D+01  0.636457D+00
      3  -0.680280D+01  0.434454D+01 -0.251034D+01 -0.314129D+00 -0.203255D+01
               151           152           153           154           155 
      1  -0.470014D+00 -0.100205D+02 -0.356061D+01 -0.789368D+00 -0.938075D-01
      2   0.661363D+01  0.150315D+01 -0.243157D+01 -0.763769D+01  0.305110D+01
      3   0.248120D+01 -0.208223D+01 -0.121949D+01 -0.158181D+02  0.134353D+01
               156           157           158           159           160 
      1   0.129706D+01  0.818100D+00  0.300812D+01 -0.975514D+00  0.144527D+01
      2  -0.826752D+01  0.528082D+01 -0.101834D+02  0.353200D+01 -0.229331D+02
      3  -0.237068D+01  0.100862D+02  0.195457D+02  0.939974D+01 -0.397983D+01
               161           162           163           164           165 
      1   0.328182D+01 -0.148672D+01 -0.854095D+01  0.236804D+01 -0.617425D+01
      2   0.265399D+01  0.170172D+02 -0.283633D+01  0.684086D+01 -0.292651D+01
      3   0.970874D+01 -0.313469D+01 -0.131317D+02 -0.165186D+02  0.137328D+01
               166           167           168           169           170 
      1   0.239492D+01 -0.655738D+01  0.152196D+01 -0.927277D+01  0.103429D+02
      2   0.682584D+01 -0.631320D+01  0.258591D+01 -0.124238D+02  0.579518D+01
      3  -0.107316D+02  0.334302D+01  0.421072D+01  0.167542D+01  0.449102D+01
               171           172           173           174           175 
      1   0.135037D+02 -0.523821D+01  0.558646D+01 -0.774817D+00  0.405167D+01
      2   0.684485D+01 -0.167385D+02  0.833436D+01 -0.875406D+01  0.902465D+01
      3   0.228110D+01 -0.726747D+01  0.186303D+01 -0.354249D+01  0.515261D+01
               176           177           178           179           180 
      1  -0.481381D+01  0.206477D+01 -0.993010D+00  0.340535D+01 -0.128850D+01
      2  -0.616579D+01  0.378082D+01 -0.720609D+01  0.324967D+01 -0.578410D+01
      3  -0.212256D+01  0.225769D+01 -0.225550D+01  0.706755D+00 -0.221872D+01
               181           182           183           184           185 
      1  -0.454885D+01 -0.531666D+01  0.141375D+00 -0.364877D+01 -0.437107D+01
      2   0.119147D+02  0.516660D+01 -0.141727D+01  0.702716D+01  0.277620D+01
      3   0.329416D+01 -0.115732D+01 -0.681418D+00  0.242060D+01 -0.103345D+01
               186           187           188           189           190 
      1   0.196574D+01  0.790876D+00  0.354770D+01 -0.112960D+01  0.154231D+01
      2  -0.244922D+00 -0.470674D+01 -0.142900D+01  0.203249D+01 -0.780590D+00
      3   0.663909D+00 -0.102282D+01  0.801893D+00  0.652027D+00  0.197884D+00
               191           192           193           194           195 
      1  -0.110480D+00  0.614704D+00 -0.247284D+00  0.166581D+02  0.843517D+01
      2  -0.988808D+00 -0.195479D+01 -0.373288D+01 -0.124306D+01 -0.307764D+01
      3  -0.516601D+00 -0.545779D+00  0.176801D+01  0.201126D+01  0.152914D+01
               196           197           198           199           200 
      1   0.333527D+00  0.932473D+01  0.890818D+01 -0.702278D+00 -0.638589D-01
      2  -0.359027D+01 -0.180330D+01 -0.211784D+01  0.195016D+01  0.654739D+00
      3   0.316521D+00  0.122396D+01  0.140111D+01 -0.367725D+01 -0.311706D+01
               201           202           203           204           205 
      1  -0.547365D+00 -0.183745D+00 -0.292755D+01 -0.389515D+01  0.752949D-01
      2   0.135554D+01 -0.630407D+00  0.572128D+01  0.406834D+01  0.178256D+01
      3   0.175950D+00 -0.141022D+01 -0.260831D+02 -0.585781D+01  0.775756D+00
               206           207           208           209           210 
      1  -0.493713D+00 -0.391240D+00 -0.145565D+00  0.678834D+00 -0.197582D+00
      2   0.321762D+01  0.364297D+01  0.873553D+01 -0.208594D+01  0.677709D+01
      3  -0.583393D+01 -0.302572D+01  0.859484D+01 -0.736130D+01  0.240150D+01
               211           212           213           214           215 
      1  -0.252152D+00 -0.584389D+00 -0.100798D+01 -0.198416D+00  0.109374D+01
      2  -0.387577D+01  0.399723D+01 -0.492991D+01  0.855833D+01 -0.324820D+01
      3  -0.565376D+01  0.621847D+01 -0.362441D+01  0.370636D+01 -0.591289D+01
               216           217           218           219           220 
      1   0.464517D+00  0.701297D+00 -0.830115D+00 -0.484047D+00 -0.162305D+00
      2   0.710479D+01 -0.466835D+01 -0.103145D+01  0.930765D+01 -0.775015D+00
      3   0.339306D+01  0.179505D+01 -0.246662D+01  0.259234D+00 -0.162894D+01
               221           222           223           224           225 
      1   0.183571D+00 -0.588736D+00 -0.727975D+00  0.303880D+01  0.192509D+01
      2  -0.206927D+01 -0.150487D+01  0.893228D+01  0.563432D-01 -0.267683D+02
      3  -0.981608D+00  0.206205D+01  0.474978D+00  0.456001D+01  0.256667D+00
               226           227           228           229           230 
      1   0.358847D+01  0.139664D+01 -0.309118D+01  0.180401D+01  0.275265D+01
      2  -0.287849D+01 -0.240076D+01  0.111578D+01 -0.170187D+01 -0.132845D+01
      3   0.189946D+02  0.959824D+01 -0.124481D+01  0.119994D+02  0.107257D+02
               231           232           233           234           235 
      1  -0.288514D+01 -0.132341D+01 -0.114987D+01  0.616338D+00 -0.203546D+01
      2   0.412847D+00 -0.839397D-01 -0.216761D+01  0.213162D+01 -0.126406D+01
      3  -0.408689D+00 -0.175986D+01 -0.117419D+01  0.313901D+01  0.590084D-01
               236           237           238           239           240 
      1  -0.954550D-01  0.363527D+01  0.234850D+00 -0.218921D+01 -0.152330D+01
      2   0.195638D+00  0.397499D+01 -0.574156D+00 -0.160839D+01 -0.174020D+01
      3  -0.434859D+00  0.164928D+01  0.100772D+01 -0.110706D+00  0.132467D+01
               241           242           243           244           245 
      1   0.442022D+01  0.161478D+00 -0.184260D+02  0.560738D+01 -0.365566D+01
      2   0.572244D+00 -0.390288D+01 -0.162877D+02  0.458856D+01 -0.346689D+01
      3   0.264728D+01  0.389444D+01  0.170343D+00 -0.407562D+01 -0.202483D+01
               246           247           248           249           250 
      1   0.496916D+01 -0.355126D+01  0.504607D+01 -0.416977D+01  0.459076D+01
      2   0.418047D+01 -0.302220D+01  0.432717D+01 -0.286174D+01  0.399937D+01
      3  -0.177555D+01  0.243819D+01  0.297032D+01 -0.848681D+00 -0.241301D+01
               251           252           253           254           255 
      1  -0.331218D+01  0.380923D+01 -0.162553D+00 -0.356489D+00 -0.144558D+01
      2  -0.403176D+01  0.469545D+01 -0.255396D+01 -0.101580D+01 -0.107402D+02
      3  -0.323879D+01 -0.268610D+00 -0.106000D+02  0.125277D+01  0.753265D+00
               256           257           258           259           260 
      1   0.367762D+00  0.129917D+01  0.663207D+01 -0.180772D+00  0.929991D+01
      2  -0.205196D+01  0.207281D+01 -0.659629D+01 -0.200690D+02 -0.966481D+00
      3   0.441463D+01  0.198312D+02 -0.163673D+01  0.204124D+01 -0.214494D+01
               261           262           263           264           265 
      1  -0.160638D+01 -0.220404D+00  0.466285D+00  0.170271D+01  0.468526D-01
      2   0.161870D+01  0.163327D+01  0.157788D+01  0.596484D+01  0.193792D+01
      3   0.291726D+01  0.216107D+02 -0.115310D+01 -0.116187D+01  0.134232D+02
               266           267           268           269           270 
      1   0.861530D+00  0.201141D+01 -0.314372D+01  0.766804D+01 -0.673683D+00
      2   0.207045D+01  0.179632D+02 -0.852129D+01  0.225055D+02 -0.505603D+01
      3  -0.114605D+02 -0.214685D+01 -0.154793D+01 -0.303166D+01 -0.207756D+02
               271           272           273           274           275 
      1   0.716661D+00  0.429208D+00  0.996375D+00  0.164345D+00  0.135978D+00
      2  -0.118815D+01 -0.131855D+00  0.662500D+01  0.463305D+00 -0.248073D+01
      3  -0.845999D+01 -0.677919D+01 -0.415503D+00  0.166046D+01 -0.362067D+02
               276           277           278           279           280 
      1  -0.922416D+01  0.396742D+00  0.381797D+00  0.132663D+01  0.610608D+00
      2   0.101224D+02  0.512900D+01  0.709687D+01 -0.178731D+01  0.394027D+01
      3   0.206154D+01 -0.946159D+00  0.234368D+01 -0.747874D+01  0.377597D+00
               281           282           283           284           285 
      1  -0.121004D+00 -0.287342D-01 -0.603990D+00  0.927159D+00 -0.347572D+01
      2  -0.342653D+00  0.823587D+00 -0.202014D+01  0.869831D+01 -0.117479D+02
      3  -0.509159D+00 -0.478286D+00 -0.311104D+01  0.142481D+02 -0.801675D+01
               286           287           288           289           290 
      1   0.110480D+01 -0.816525D+00  0.488069D+01 -0.102546D+00 -0.110028D-01
      2   0.427410D+01 -0.131501D+02  0.220232D+02 -0.192546D+01 -0.554634D+00
      3   0.164089D+01 -0.106158D+02  0.123063D+02 -0.146867D+02 -0.996249D+01
               291           292           293           294           295 
      1   0.357986D+00  0.683924D-01 -0.370572D-01 -0.834916D+00  0.812374D+00
      2   0.715411D+01 -0.699919D+00 -0.764196D+00  0.183650D+01  0.451942D+01
      3   0.515711D+00 -0.831106D+01 -0.806042D+01  0.643225D+00  0.691143D+00
               296           297           298           299           300 
      1   0.477491D+00 -0.447678D-01 -0.641144D+00 -0.662968D-01 -0.265709D+00
      2  -0.515967D+00 -0.476305D+00 -0.363046D+01 -0.247174D+00  0.174741D+00
      3   0.102178D+01 -0.134998D+00  0.792223D+00  0.236464D+00  0.915936D+00
               301           302           303           304           305 
      1   0.768586D+00 -0.208949D+01 -0.415024D+01  0.101911D+01 -0.161372D+01
      2   0.159883D+01 -0.993742D+01 -0.117428D+02  0.347831D+01 -0.130474D+02
      3  -0.317741D+01  0.188624D+02  0.905349D+01 -0.122656D+01  0.122280D+02
               306 
      1  -0.435711D+01
      2  -0.160768D+02
      3   0.121897D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.155309D+01 -0.116868D+02 -0.192444D+02 -0.759027D+01 -0.109578D+02
      2   0.857801D+01  0.361439D+01 -0.301488D+01  0.462338D+01  0.103653D+02
      3  -0.702492D+01  0.807244D+01  0.222593D+02  0.296688D+01  0.592526D+00
      4  -0.166768D+02 -0.111836D+02 -0.129497D+02 -0.888531D+01  0.528594D+01
      5  -0.195220D+02 -0.146257D+02 -0.144884D+02 -0.141527D+02  0.325963D+00
      6  -0.222279D+02 -0.790945D+01  0.739216D+01 -0.441956D+01  0.736112D+01
                 6             7             8             9            10 
      1   0.332278D+01 -0.119482D+02  0.112569D+01  0.199393D+02  0.938138D+01
      2   0.966744D+01 -0.160376D+01  0.500490D+01 -0.629104D+00 -0.216903D+02
      3  -0.129902D+02  0.135519D+02 -0.613059D+01 -0.193102D+02  0.123089D+02
      4   0.247373D+00 -0.637083D+01 -0.166263D+01  0.438481D+01  0.125391D+01
      5  -0.113189D+02 -0.972736D+01  0.362759D+00 -0.581747D+01  0.468278D+01
      6  -0.346766D+01  0.790773D+01 -0.104710D+02 -0.766550D+00  0.565317D+01
                11            12            13            14            15 
      1  -0.134770D+01  0.139658D+00 -0.259311D+01 -0.580091D+00 -0.511583D+01
      2  -0.199274D+01  0.903411D+01 -0.975232D+00 -0.363869D+01  0.124382D+02
      3   0.334044D+01 -0.917377D+01  0.356834D+01  0.421878D+01 -0.732232D+01
      4  -0.178919D+02  0.668576D+01 -0.129204D+02 -0.274744D+01  0.104555D+02
      5   0.537525D+01 -0.366724D+01  0.427726D+01  0.806462D+01  0.341210D+01
      6   0.827653D+01 -0.664579D+01  0.652160D+01  0.101883D+02  0.213422D+01
                16            17            18            19            20 
      1  -0.265473D+01 -0.572348D+01 -0.555648D+01 -0.505644D+01  0.951811D+01
      2   0.823626D+01  0.151370D+02  0.868311D+01 -0.570119D+01 -0.985572D+00
      3  -0.558152D+01 -0.941352D+01 -0.312663D+01  0.107576D+02 -0.853254D+01
      4   0.336424D+01  0.110388D+02 -0.472916D+01  0.536195D+01 -0.594473D+00
      5  -0.245166D+01 -0.814337D+00 -0.532886D+00  0.158312D+02 -0.204046D+01
      6  -0.603916D+01  0.223396D+01 -0.574028D+01  0.416130D+01  0.726543D+01
                21            22            23            24            25 
      1  -0.519681D+01  0.848250D+01  0.204923D+01  0.675290D+01  0.719914D+01
      2  -0.407480D+01 -0.314048D+01 -0.208982D+01 -0.293643D+00  0.179502D+01
      3   0.927161D+01 -0.534203D+01  0.405901D-01 -0.645925D+01 -0.899416D+01
      4  -0.266002D+01 -0.180683D+01 -0.938000D+01 -0.316456D+01  0.348669D+01
      5   0.271697D+02  0.108584D+01 -0.210594D+01 -0.136210D+02 -0.764705D+01
      6  -0.108542D+02  0.200236D+01 -0.130324D+02  0.431232D+01  0.260279D+01
                26            27            28            29            30 
      1   0.122880D+01 -0.262923D+02 -0.116658D+01  0.130228D+01 -0.819901D+01
      2  -0.282306D+01 -0.115689D+01  0.946515D+01 -0.324600D+01 -0.621283D+01
      3   0.159426D+01  0.274492D+02 -0.829858D+01  0.194372D+01  0.144118D+02
      4  -0.295526D+01  0.633347D+01  0.182895D+01  0.118808D+01  0.371832D+00
      5   0.347572D+01  0.237541D+02 -0.198514D+01 -0.354366D+01 -0.104626D+02
      6  -0.187198D+00 -0.617316D+01 -0.706025D+01 -0.416369D+00 -0.182609D+01
                31            32            33            34            35 
      1  -0.255782D+00  0.146223D+02 -0.109892D+01 -0.959705D+01  0.178449D+01
      2  -0.584827D+01 -0.194812D+02  0.722772D+01 -0.392049D+01  0.357150D+01
      3   0.610405D+01  0.485887D+01 -0.612880D+01  0.135175D+02 -0.535599D+01
      4   0.116782D+01  0.142422D+01 -0.123208D+01 -0.629907D+00 -0.925467D+00
      5  -0.154829D+01  0.256321D+01  0.133042D+02 -0.766201D+01  0.354389D+01
      6   0.478484D+00  0.211316D+02 -0.660252D+01 -0.224348D+01 -0.225644D+00
                36            37            38            39            40 
      1   0.848176D-01 -0.322081D+02  0.301448D+01  0.360626D+00  0.121736D+02
      2   0.867947D+01  0.158787D+02 -0.248525D+01 -0.498714D+00 -0.313556D+01
      3  -0.876428D+01  0.163294D+02 -0.529234D+00  0.138088D+00 -0.903804D+01
      4  -0.626002D+00 -0.185173D+01 -0.926757D+01  0.786873D+00 -0.330927D+01
      5  -0.179617D+01  0.165799D+01  0.156859D+01 -0.605272D+01  0.966864D+00
      6  -0.204199D+01  0.381708D+01 -0.785308D+00 -0.166722D+01 -0.124430D+01
                41            42            43            44            45 
      1   0.252125D+01  0.352962D-01  0.367005D+01 -0.302787D+01  0.962833D+01
      2  -0.944008D+00 -0.619409D+00  0.804283D-01  0.135367D+01 -0.198965D+01
      3  -0.157724D+01  0.584113D+00 -0.375048D+01  0.167420D+01 -0.763868D+01
      4   0.849051D-01 -0.502099D+00  0.155141D+01 -0.101487D+00 -0.156481D+00
      5  -0.357700D+00 -0.860980D+01 -0.421808D+01 -0.127567D+01 -0.517958D+01
      6  -0.627456D+01 -0.559989D+01  0.933392D+00 -0.636964D+01  0.946821D+00
                46            47            48            49            50 
      1  -0.190060D+02  0.842822D+01 -0.539656D+01  0.137470D+02 -0.652320D+01
      2   0.233858D+01  0.674524D+00 -0.259513D+01 -0.518292D+01 -0.599357D+01
      3   0.166674D+02 -0.910274D+01  0.799169D+01 -0.856411D+01  0.125168D+02
      4   0.109281D+02 -0.134955D+01 -0.353705D+01 -0.284066D+00  0.116315D+00
      5  -0.724531D+00 -0.768714D+01  0.113630D+02 -0.611285D+01 -0.390780D+01
      6  -0.102529D+02  0.197954D+01 -0.252493D+01  0.168512D+01 -0.693059D+01
                51            52            53            54            55 
      1   0.676208D+01 -0.773817D+01  0.843373D+01 -0.184386D+01  0.208107D+02
      2  -0.836037D+01  0.111967D+01 -0.124096D+02 -0.125013D+01 -0.125057D+02
      3   0.159829D+01  0.661851D+01  0.397584D+01  0.309399D+01 -0.830494D+01
      4  -0.629172D+01  0.113688D+01 -0.962968D+01  0.258894D+00  0.264765D+02
      5  -0.379945D+01  0.355355D+01 -0.279301D+01  0.964191D+01  0.294610D+02
      6   0.720083D+01 -0.541401D+00  0.250238D+01  0.178012D+01  0.179732D+02
                56            57            58            59            60 
      1   0.414770D+01  0.545312D+01  0.369037D+01  0.124901D+01 -0.160121D+01
      2   0.415339D+00 -0.627419D+01  0.107913D+01  0.416452D+01 -0.809772D+00
      3  -0.456303D+01  0.821077D+00 -0.476950D+01 -0.541354D+01  0.241098D+01
      4   0.183874D+02  0.144130D+02  0.161094D+02  0.144866D+02  0.829055D+01
      5   0.155705D+02  0.204499D+02  0.119404D+02  0.108063D+02  0.101495D+02
      6   0.142050D+02  0.127451D+02  0.107094D+02  0.118777D+02  0.101412D+02
                61            62            63            64            65 
      1   0.276569D+01 -0.843528D+00 -0.195336D+01 -0.786117D+01  0.894423D+01
      2  -0.520276D+01 -0.178386D+01 -0.647931D+01 -0.213797D+01 -0.399840D+01
      3   0.243708D+01  0.262739D+01  0.843267D+01  0.999914D+01 -0.494583D+01
      4   0.787028D+01  0.647456D+01  0.758752D+01 -0.280199D+01  0.281061D+01
      5   0.163208D+02  0.711427D+01  0.169471D+02 -0.609548D+01  0.448100D+01
      6   0.711039D+01  0.961818D+01  0.949813D+01  0.109584D+02 -0.905370D+01
                66            67            68            69            70 
      1   0.179576D+02  0.343735D+01 -0.761839D+01 -0.112772D+02  0.102897D+02
      2   0.454021D+01 -0.397836D+01  0.415984D+01 -0.126917D+01  0.135927D+01
      3  -0.224979D+02  0.541016D+00  0.345855D+01  0.125464D+02 -0.116490D+02
      4   0.583334D+01  0.210993D+01 -0.386932D+00 -0.249428D+01  0.347695D+01
      5   0.567025D+01  0.642962D+01 -0.434091D+01  0.966619D+01  0.912288D+01
      6  -0.134952D+02 -0.637306D+01  0.101886D+02  0.926560D+01 -0.887542D+01
                71            72            73            74            75 
      1  -0.104186D+02 -0.309740D+02 -0.332108D+01  0.105369D+02  0.923754D+00
      2   0.108097D+01 -0.120703D+02  0.144127D+02 -0.189075D+02 -0.909238D+00
      3   0.933763D+01  0.430443D+02 -0.110917D+02  0.837061D+01 -0.145164D-01
      4   0.779312D+00 -0.360490D+01 -0.158815D+02  0.115663D+02 -0.136235D+01
      5  -0.140834D+01  0.504870D+01 -0.226223D+01  0.587598D+00  0.146810D+01
      6   0.161531D+02  0.217518D+02 -0.315983D+00 -0.189502D+01 -0.468691D+01
                76            77            78            79            80 
      1   0.598278D+01 -0.105315D+02 -0.178319D+00  0.537623D+00  0.119451D+00
      2  -0.126271D+02  0.212456D+02 -0.180864D+01 -0.118697D+01 -0.100664D+01
      3   0.664430D+01 -0.107141D+02  0.198696D+01  0.649346D+00  0.887188D+00
      4   0.100655D+02 -0.824796D+01 -0.902611D+00 -0.123447D+00 -0.130264D+01
      5   0.644880D+00 -0.183722D+01 -0.268000D-01  0.279556D+01 -0.653661D+00
      6  -0.158517D+01  0.481999D+00  0.354499D+01 -0.381081D+01  0.554953D+01
                81            82            83            84            85 
      1  -0.230588D+01  0.371200D+01 -0.336836D+01 -0.893155D+00 -0.184341D+01
      2   0.148117D+01  0.829127D+01  0.157526D+02 -0.425761D+01  0.104312D+02
      3   0.824712D+00 -0.120033D+02 -0.123843D+02  0.515076D+01 -0.858784D+01
      4  -0.183447D+01  0.149392D+02  0.192687D+02 -0.684437D+01  0.149796D+02
      5   0.716534D+00 -0.386241D+01 -0.430939D+01  0.679959D+01 -0.249824D+01
      6   0.106979D+01 -0.494614D+01 -0.504794D+01  0.615357D+01 -0.395724D+01
                86            87            88            89            90 
      1  -0.120311D+02  0.354121D+01  0.511986D+00  0.554161D+01 -0.250643D+01
      2   0.315462D+02 -0.909015D+01 -0.327490D+01 -0.122055D+02  0.505468D+01
      3  -0.195150D+02  0.554894D+01  0.276292D+01  0.666393D+01 -0.254825D+01
      4   0.224015D+02 -0.730711D+01 -0.574764D+01 -0.865767D+01  0.761638D+01
      5  -0.575327D+01  0.423353D+01  0.394682D+01  0.498275D+01 -0.649742D+01
      6  -0.945238D+01  0.718401D+01  0.566867D+01  0.933913D+01 -0.673335D+01
                91            92            93            94            95 
      1  -0.955987D+00 -0.289458D+02  0.137553D+02 -0.330855D+02  0.106949D+02
      2   0.117557D+02  0.100340D+02  0.429596D+01  0.138393D+02 -0.759584D+01
      3  -0.107997D+02  0.189118D+02 -0.180513D+02  0.192462D+02 -0.309904D+01
      4  -0.247415D+02  0.672407D+01  0.270667D+01  0.465191D+01  0.139622D+02
      5  -0.335405D+01  0.600144D+01 -0.536780D+01  0.284511D+01  0.580509D+01
      6   0.740680D+01 -0.379972D+01  0.758223D+01 -0.246827D+01 -0.494390D+00
                96            97            98            99           100 
      1  -0.562752D+01  0.921627D+01 -0.142292D+01  0.240329D+02  0.121280D+02
      2  -0.647622D+01  0.395635D+00 -0.707996D+01 -0.860061D+00 -0.988482D+01
      3   0.121037D+02 -0.961190D+01  0.850287D+01 -0.231729D+02 -0.224315D+01
      4   0.960457D+01 -0.215834D+01  0.113441D+02 -0.258247D+01 -0.923014D+01
      5   0.665195D+01  0.993300D+01  0.136630D+01 -0.352214D+02  0.137677D+02
      6  -0.671071D+01  0.484573D+00 -0.191719D+01  0.126396D+02 -0.524649D+01
               101           102           103           104           105 
      1  -0.505831D+01  0.815629D+01 -0.358164D+01 -0.221940D+01  0.459851D+00
      2   0.163362D+01 -0.476314D+01  0.159066D+01  0.322553D+00 -0.118150D+00
      3   0.342469D+01 -0.339314D+01  0.199097D+01  0.189684D+01 -0.341700D+00
      4   0.765605D+01 -0.322695D+01  0.861637D+01 -0.889412D+01  0.705322D+01
      5  -0.401222D+01  0.427403D+01 -0.577842D+01  0.817048D+01 -0.105800D+01
      6   0.346221D+01  0.112399D+01  0.521451D+01 -0.944228D+01  0.916237D+01
               106           107           108           109           110 
      1   0.228092D+00  0.273908D+01 -0.516719D+01 -0.157282D-01 -0.116422D+01
      2  -0.847511D+01  0.347030D+01 -0.142665D+02  0.357747D+01  0.181743D+01
      3   0.824702D+01 -0.620938D+01  0.194337D+02 -0.356174D+01 -0.653208D+00
      4  -0.528528D+01  0.651401D+01 -0.813979D+01  0.125470D+01  0.546819D+01
      5   0.168793D+02 -0.815706D+01  0.193868D+02 -0.240853D+01 -0.923128D+00
      6  -0.578764D+01  0.103292D+02 -0.105773D+02 -0.239782D+01 -0.203630D+01
               111           112           113           114           115 
      1   0.223295D+01 -0.966007D+00 -0.261938D+02  0.102369D+02  0.175220D+01
      2   0.168071D+01  0.296098D+01  0.365511D+02 -0.712881D+01 -0.990890D+00
      3  -0.391366D+01 -0.199497D+01 -0.103572D+02 -0.310810D+01 -0.761312D+00
      4  -0.161315D+00  0.604455D+01  0.155136D+01 -0.724268D+00 -0.107044D+01
      5  -0.935483D+00 -0.414222D+01 -0.379540D+01 -0.697821D+00  0.588236D+01
      6   0.326733D+01 -0.369739D+01 -0.283489D+02  0.140969D+02  0.247841D+00
               116           117           118           119           120 
      1   0.652772D+01 -0.773713D+01  0.379159D+01 -0.196317D+01  0.744808D+01
      2  -0.171089D+01  0.379123D+00 -0.941324D+01  0.504609D+00  0.113192D+02
      3  -0.481683D+01  0.735800D+01  0.562165D+01  0.145856D+01 -0.187673D+02
      4   0.652933D+00 -0.158407D+01  0.289254D+01  0.708503D+00  0.763771D+00
      5  -0.193483D+01  0.640686D+01 -0.166819D+02  0.433572D+01  0.392969D+01
      6   0.111484D+02 -0.103050D+02  0.190156D+01 -0.412947D+01  0.681928D+01
               121           122           123           124           125 
      1   0.325990D+00 -0.414659D+01 -0.195341D+01  0.361274D+01  0.150388D+00
      2   0.364045D+01  0.578938D+00 -0.337775D+01  0.758173D+01 -0.241975D+01
      3  -0.396644D+01  0.356765D+01  0.533116D+01 -0.111945D+02  0.226936D+01
      4   0.177266D+01 -0.115551D+01  0.247940D+00 -0.202095D+01 -0.928081D+00
      5   0.247002D+01 -0.132192D+01 -0.892595D+01  0.137599D+02 -0.161058D+01
      6  -0.153612D+01 -0.711108D+00  0.674812D+01  0.162726D+01  0.517431D+01
               126           127           128           129           130 
      1  -0.139630D+02  0.729012D+01  0.107577D+01  0.867307D+00  0.363098D+01
      2  -0.152773D+02 -0.261528D+01  0.122726D+00 -0.716931D+00 -0.130035D+01
      3   0.292402D+02 -0.467483D+01 -0.119849D+01 -0.150376D+00 -0.233063D+01
      4   0.104626D+01  0.241123D+01  0.312552D+01  0.175217D+01  0.433311D+01
      5  -0.106459D+02  0.246105D+01  0.124258D+01  0.341770D+01  0.176565D+01
      6  -0.366662D+01  0.272402D+01  0.129122D+01  0.143831D+01  0.169231D+01
               131           132           133           134           135 
      1  -0.839513D+01 -0.436133D+01  0.210228D+01 -0.414586D+01 -0.746780D+01
      2   0.100349D+02  0.453474D+01 -0.143472D+01  0.221376D+01  0.198737D+01
      3  -0.163979D+01 -0.173406D+00 -0.667566D+00  0.193210D+01  0.548042D+01
      4   0.291587D+01  0.265763D+01  0.206449D+01  0.197115D+01  0.277636D+01
      5   0.270952D+01  0.183669D+01  0.317146D+01  0.314056D+01  0.284523D+01
      6   0.873813D+01  0.881512D+01  0.176771D+01  0.721973D+01  0.934492D+01
               136           137           138           139           140 
      1   0.251735D+02 -0.696277D+01  0.441600D+01 -0.238041D+02 -0.258392D+01
      2  -0.126614D+02  0.156195D+01 -0.197365D+01  0.127739D+02  0.462659D+01
      3  -0.125121D+02  0.540082D+01 -0.244235D+01  0.110302D+02 -0.204267D+01
      4  -0.580431D+01  0.169573D+02 -0.115224D+01  0.109119D+02 -0.500015D+01
      5   0.264273D+01 -0.911836D+00  0.146091D+02 -0.181134D+01  0.123170D+01
      6  -0.507983D+00 -0.636348D+00  0.380283D+00  0.194335D+00  0.235114D+00
               141           142           143           144           145 
      1   0.191535D+00  0.298141D+01  0.569227D+00 -0.451317D+01  0.111440D+02
      2   0.429288D+00 -0.947909D+00 -0.266194D+00  0.110947D+01 -0.191625D+01
      3  -0.620824D+00 -0.203350D+01 -0.303032D+00  0.340370D+01 -0.922773D+01
      4   0.139986D+01 -0.955528D+00 -0.218184D+00 -0.235399D+01 -0.770531D+01
      5   0.811637D+00  0.944718D+00 -0.958731D+00  0.357478D+00  0.669206D+01
      6   0.495337D+01  0.110019D+01  0.331964D+01 -0.530065D+00  0.256650D+02
               146           147           148           149           150 
      1  -0.625701D+01  0.384440D+01 -0.655259D+01  0.103990D+02  0.619241D+01
      2   0.408861D+01 -0.499818D+01  0.354208D+01  0.922999D+01  0.798378D+01
      3   0.216840D+01  0.115378D+01  0.301051D+01 -0.196290D+02 -0.141762D+02
      4  -0.890231D+01  0.913641D+01 -0.921748D+01  0.187653D+01  0.590584D+01
      5   0.202089D+02 -0.127653D+02  0.217189D+02  0.458553D+01  0.194611D+01
      6  -0.957304D+00 -0.254462D+01 -0.151410D+01 -0.393866D+01 -0.219935D+02
               151           152           153           154           155 
      1   0.437029D+01  0.307274D+01 -0.601724D+01 -0.306646D+01  0.314877D+02
      2  -0.163303D+01  0.872728D+01 -0.453073D+01  0.942221D+00 -0.149818D+02
      3  -0.273725D+01 -0.118000D+02  0.105480D+02  0.212424D+01 -0.165059D+02
      4   0.627127D+01  0.478832D+01  0.172224D+01  0.300424D+02 -0.353115D+01
      5  -0.144971D+02  0.230921D+01 -0.530985D+01 -0.144694D+02  0.235538D+01
      6   0.564559D-01 -0.161952D+02 -0.108391D+02 -0.233034D+01  0.620867D+00
               156           157           158           159           160 
      1  -0.207222D+02  0.371690D+02 -0.747066D+01  0.783810D+01 -0.229778D+02
      2   0.376798D+01 -0.205906D+02  0.776214D-01 -0.499978D+01  0.607527D+01
      3   0.169542D+02 -0.165784D+02  0.739304D+01 -0.283832D+01  0.169026D+02
      4   0.307170D+01 -0.896986D+01 -0.263640D+02 -0.154764D+02  0.787248D+01
      5  -0.146764D+02  0.846463D+01 -0.146842D+02  0.783825D+01 -0.341871D+02
      6  -0.403233D+01 -0.136025D+01  0.922623D+00  0.424668D+00  0.393400D+00
               161           162           163           164           165 
      1   0.723968D+01 -0.232370D+02  0.838476D+01  0.257633D+02 -0.962653D+01
      2  -0.464518D+01  0.216348D+02 -0.235876D+02 -0.112311D+02 -0.529573D+01
      3  -0.259450D+01  0.160215D+01  0.152028D+02 -0.145322D+02  0.149223D+02
      4  -0.158605D+02  0.582018D+01  0.222074D+02 -0.217788D+02  0.923353D+01
      5   0.647094D+01  0.295229D+02 -0.710964D+01  0.120319D+01 -0.536027D+01
      6  -0.396724D-01  0.390027D+01  0.348434D+01 -0.616356D+01  0.678130D+01
               166           167           168           169           170 
      1   0.239901D+02 -0.931946D+01 -0.141462D+01 -0.998757D+01  0.628254D+00
      2  -0.122554D+02  0.804631D+01  0.919410D+01 -0.317489D+01  0.121493D+02
      3  -0.117347D+02  0.127315D+01 -0.777948D+01  0.131625D+02 -0.127776D+02
      4  -0.185894D+02 -0.646307D+01 -0.150192D+02  0.141821D+02 -0.185829D+02
      5   0.305948D+01 -0.126328D+02  0.489379D+01 -0.173752D+02  0.111297D+02
      6  -0.612271D+01  0.131053D+02 -0.170083D+01  0.135701D+02 -0.631435D+01
               171           172           173           174           175 
      1  -0.328660D+00 -0.539549D+01  0.726830D+01 -0.101611D+02  0.606001D+01
      2   0.154858D+02 -0.126274D+00 -0.476028D+01 -0.148456D+01 -0.406436D+01
      3  -0.151571D+02  0.552177D+01 -0.250802D+01  0.116456D+02 -0.199566D+01
      4   0.161521D+02 -0.670939D+01  0.528096D+01 -0.322055D+01  0.615680D+01
      5   0.140572D+02  0.164811D+02 -0.851314D+01  0.668548D+01 -0.107183D+02
      6  -0.142359D+02 -0.139651D+02  0.117332D+02 -0.863144D+01  0.101687D+02
               176           177           178           179           180 
      1  -0.109282D+02  0.838548D+01 -0.522398D+01  0.498583D+01 -0.872515D+01
      2   0.628471D+01 -0.139757D+01 -0.226516D+01 -0.437351D+00 -0.217898D+01
      3   0.464344D+01 -0.698791D+01  0.748914D+01 -0.454848D+01  0.109041D+02
      4  -0.384799D+01  0.936854D+00 -0.238102D+01  0.945984D+00 -0.173737D+01
      5   0.527140D+01 -0.360027D+01  0.768873D+01 -0.279600D+01  0.487352D+01
      6  -0.137972D+02  0.140447D+02 -0.593678D+01  0.892847D+01 -0.745531D+01
               181           182           183           184           185 
      1   0.692995D+01 -0.289853D-01  0.329611D+01  0.830840D+00 -0.524422D+01
      2  -0.761771D+01  0.187968D+00  0.688110D+01 -0.191546D+00  0.298900D+01
      3   0.687757D+00 -0.158983D+00 -0.101772D+02 -0.639294D+00  0.225522D+01
      4   0.138260D+02  0.112778D+02 -0.882926D+01  0.106027D+02  0.999882D+01
      5  -0.236533D+02 -0.143540D+02  0.209342D+02 -0.131242D+02 -0.110595D+02
      6  -0.143053D+02 -0.113049D+02  0.101194D+02 -0.962241D+01 -0.129519D+02
               186           187           188           189           190 
      1   0.528034D+01  0.160193D+01  0.301900D+01 -0.430353D+01 -0.209418D+01
      2   0.401625D+00  0.505466D+01  0.933665D+00 -0.574021D+01 -0.191609D+01
      3  -0.568197D+01 -0.665659D+01 -0.395266D+01  0.100437D+02  0.401027D+01
      4  -0.705383D+01 -0.466301D+01 -0.423439D+01  0.581618D+01 -0.327465D+00
      5   0.102933D+02  0.135613D+02  0.685688D+01 -0.132039D+02 -0.830009D+00
      6   0.133626D+02  0.683864D+01  0.924448D+01 -0.838090D+01  0.772859D+00
               191           192           193           194           195 
      1  -0.632512D+00 -0.236882D+01 -0.991600D+00 -0.921970D+01 -0.142973D+02
      2  -0.433320D+00  0.239472D+00 -0.290620D+00 -0.383836D+01 -0.112921D+02
      3   0.106583D+01  0.212935D+01  0.128222D+01  0.130581D+02  0.255894D+02
      4   0.303591D+01 -0.232897D+00  0.302831D+01 -0.613096D+01 -0.309698D+01
      5   0.151059D+01  0.715094D+01  0.346006D+01 -0.257800D+01 -0.508668D+01
      6   0.909266D+00  0.600188D+00  0.823112D+00  0.214427D+02  0.164257D+02
               196           197           198           199           200 
      1  -0.157318D+01 -0.739008D+01 -0.148523D+02  0.437321D+01  0.530979D+01
      2   0.106258D+00 -0.735863D+01 -0.138566D+02  0.669632D-01 -0.471903D+00
      3   0.146692D+01  0.147487D+02  0.287089D+02 -0.444017D+01 -0.483789D+01
      4  -0.216963D-01 -0.240818D+01 -0.357158D+01  0.707587D+01  0.108740D+02
      5   0.645903D+01 -0.321799D+01 -0.312972D+01  0.338652D+01  0.117514D+01
      6   0.433832D-01  0.133033D+02  0.122759D+02  0.821227D+00 -0.125946D+00
               201           202           203           204           205 
      1   0.444210D+01  0.148046D+02  0.375164D+01 -0.801645D+00  0.728664D+01
      2  -0.138892D+01 -0.399265D+01  0.923587D+01  0.334149D+01 -0.381074D+01
      3  -0.305318D+01 -0.108120D+02 -0.129875D+02 -0.253985D+01 -0.347590D+01
      4   0.156834D+01  0.180253D+02  0.423751D+02  0.837369D+01  0.153184D+01
      5   0.258968D+01 -0.153903D+01  0.822972D+01  0.387222D+01  0.800743D+01
      6   0.112773D+01  0.166202D+00 -0.591854D+00  0.522023D+01 -0.443761D+00
               206           207           208           209           210 
      1   0.255345D+00  0.481633D+00  0.665821D+02 -0.172084D+02  0.197720D+02
      2   0.187171D+01 -0.345765D+01 -0.320355D+02  0.699938D+01 -0.757577D+01
      3  -0.212706D+01  0.297601D+01 -0.345466D+02  0.102090D+02 -0.121962D+02
      4   0.881980D+01  0.408012D+01 -0.171496D+02  0.118430D+02 -0.331811D+01
      5   0.374871D+01  0.616593D+01  0.172526D+02 -0.306056D+01  0.969602D+01
      6   0.417407D+01 -0.130884D+01  0.634755D+00 -0.487904D+00  0.240372D+01
               211           212           213           214           215 
      1  -0.310890D+02  0.125417D+02 -0.685812D+01  0.322232D+02 -0.664319D+01
      2   0.143629D+02 -0.326623D+01  0.311113D+01 -0.169135D+02  0.343674D+01
      3   0.167262D+02 -0.927550D+01  0.374699D+01 -0.153096D+02  0.320645D+01
      4   0.178649D+02 -0.120757D+02  0.729065D+01 -0.815550D+01  0.959995D+01
      5  -0.781943D+01  0.709420D+01 -0.802833D+01  0.228775D+02 -0.693106D+01
      6   0.117499D+01 -0.101905D+01  0.145912D+01 -0.136686D+01  0.207277D+01
               216           217           218           219           220 
      1   0.159935D+02  0.186466D+02 -0.220313D+01 -0.123506D+02 -0.571966D+01
      2  -0.114516D+02 -0.134842D+02  0.157613D+01  0.809112D+01  0.363787D+01
      3  -0.454194D+01 -0.516242D+01  0.626998D+00  0.425948D+01  0.208178D+01
      4  -0.634678D+01 -0.193404D+01  0.418689D+01 -0.222006D+01  0.677459D+01
      5   0.136221D+02 -0.147899D+02 -0.192061D+01  0.225551D+02 -0.436765D+00
      6  -0.196782D+01 -0.110732D+01 -0.685855D+00 -0.423890D+00 -0.188007D+01
               221           222           223           224           225 
      1   0.229916D+01 -0.254879D+00 -0.222190D+02 -0.211809D+01  0.135741D+02
      2  -0.159625D+01  0.537017D+00  0.180905D+02  0.102146D+01 -0.219956D+02
      3  -0.702914D+00 -0.282138D+00  0.412847D+01  0.109663D+01  0.842159D+01
      4   0.170400D+01 -0.510798D+01 -0.230142D+01 -0.711576D+01  0.158497D+00
      5  -0.459579D+01 -0.359506D+01  0.318242D+02 -0.580893D-01 -0.503683D+02
      6   0.183146D-01  0.491226D+01  0.122943D+01  0.418049D+01 -0.237960D+01
               226           227           228           229           230 
      1  -0.154510D+02 -0.177248D+02 -0.196317D+00 -0.139334D+02 -0.182658D+02
      2   0.155104D+02  0.215632D+02  0.117749D+00  0.146512D+02  0.259370D+02
      3  -0.593342D-01 -0.383847D+01  0.785674D-01 -0.717747D+00 -0.767114D+01
      4   0.870596D+01  0.211806D+01 -0.297822D+01  0.647850D+01 -0.798637D-01
      5   0.562428D+01  0.584490D+00  0.113059D+01  0.273640D+01  0.229046D+01
      6  -0.454524D+00  0.423250D+01  0.314741D+01  0.146640D+01  0.225208D+01
               231           232           233           234           235 
      1  -0.660991D+00  0.147743D+01  0.113726D+01 -0.602811D+01  0.379568D+01
      2  -0.145913D+01 -0.135292D+01 -0.233446D+01 -0.580842D+00 -0.250856D+01
      3   0.212012D+01 -0.124516D+00  0.119721D+01  0.660896D+01 -0.128711D+01
      4   0.429189D+00 -0.328819D+01  0.370046D+01 -0.240422D+01 -0.779926D+01
      5   0.699957D+00  0.409770D+01 -0.409030D+01  0.593806D+01 -0.786225D+01
      6   0.335502D+01  0.503291D+00  0.552354D+01 -0.217031D+01  0.427146D+01
               236           237           238           239           240 
      1  -0.271252D+01 -0.446008D+01 -0.402664D+00 -0.223757D+01 -0.261909D+01
      2   0.431349D+00  0.468586D+01 -0.513825D+00  0.684627D+00  0.456719D+01
      3   0.228117D+01 -0.225784D+00  0.916489D+00  0.155294D+01 -0.194810D+01
      4   0.790701D+01  0.496586D+01  0.509099D+01 -0.293682D+01 -0.365465D+01
      5   0.292810D+01  0.136528D+02 -0.198132D+00 -0.339680D+01 -0.528708D+01
      6  -0.205363D+01 -0.758973D+01 -0.115286D+01  0.397582D+01  0.961896D+01
               241           242           243           244           245 
      1  -0.400474D+01 -0.550224D+01 -0.899020D+01  0.256082D+02 -0.126971D+02
      2   0.619023D+01  0.443995D+01 -0.122249D+02  0.142083D+01 -0.881389D+01
      3  -0.218549D+01  0.106228D+01  0.212151D+02 -0.270291D+02  0.215110D+02
      4   0.818917D+01 -0.101944D+02 -0.135129D+02 -0.359218D+02  0.325908D+02
      5   0.156832D+02 -0.106257D+02 -0.353328D+02  0.410246D+01 -0.197251D+01
      6  -0.973137D+01  0.146622D+02  0.303732D+02 -0.467079D+01  0.305177D+01
               246           247           248           249           250 
      1   0.727985D+01 -0.849668D+01  0.317579D+01 -0.466902D+00  0.964946D+01
      2   0.197577D+01 -0.753830D+01  0.170906D+02 -0.470374D+01  0.540513D+00
      3  -0.925562D+01  0.160350D+02 -0.202664D+02  0.517064D+01 -0.101900D+02
      4  -0.752231D+01  0.255519D+02 -0.289801D+02  0.807714D+01 -0.162624D+02
      5   0.435475D+01 -0.226899D+01  0.512230D+01 -0.377789D+01  0.105542D+02
      6  -0.546237D+01  0.338553D+01 -0.522407D+01  0.535106D+01 -0.849789D+01
               251           252           253           254           255 
      1  -0.174077D+01  0.279894D+01 -0.148674D+02  0.115781D+02 -0.260045D+01
      2  -0.853580D+01 -0.994921D+00  0.553442D+01 -0.216685D+01  0.104721D+01
      3   0.102766D+02 -0.180402D+01  0.933301D+01 -0.941125D+01  0.155324D+01
      4   0.176991D+02 -0.116430D+02  0.154584D+02 -0.172336D+02 -0.831130D+00
      5  -0.830919D+01  0.849707D+01 -0.151678D+01 -0.762836D+00 -0.170350D+02
      6   0.836754D+01 -0.696634D+01  0.109775D+00 -0.939861D-01  0.223154D+01
               256           257           258           259           260 
      1   0.506168D+01 -0.317619D+01 -0.219395D+01 -0.129062D+01 -0.685785D+00
      2  -0.489038D+01 -0.988420D+01  0.207459D+00  0.516387D+00  0.180234D+01
      3  -0.171296D+00  0.130604D+02  0.198649D+01  0.774233D+00 -0.111656D+01
      4  -0.286346D+02 -0.369297D+02  0.196049D+01  0.219014D+01  0.327867D+01
      5   0.113201D+01  0.167344D+01 -0.101632D+02  0.594486D+01 -0.558724D+01
      6  -0.103510D+01  0.792434D+00 -0.797357D+01  0.773691D+00  0.408256D+01
               261           262           263           264           265 
      1  -0.203755D+01 -0.261613D+02 -0.368182D+02  0.351321D+01 -0.570903D+02
      2  -0.595591D+01  0.178373D+02  0.168597D+02 -0.209679D+01  0.274269D+02
      3   0.799346D+01  0.832401D+01  0.199586D+02 -0.141641D+01  0.296634D+02
      4  -0.525544D+01 -0.408143D+02  0.737779D+01  0.133019D+01 -0.410209D+01
      5   0.328262D+01  0.332983D+01  0.120553D+01  0.553110D+01  0.125891D+01
      6   0.187423D+01 -0.886656D+00 -0.598862D+00 -0.238717D+01 -0.118048D+00
               266           267           268           269           270 
      1  -0.185502D+01  0.201955D+01  0.652316D+01  0.238572D+01  0.504237D+01
      2   0.183496D+01 -0.355235D+01 -0.252268D+01 -0.431915D+01 -0.564086D+01
      3   0.200561D-01  0.153280D+01 -0.400048D+01  0.193343D+01  0.598498D+00
      4   0.181721D+02  0.372128D+01  0.186144D+01  0.459618D+01  0.368044D+02
      5   0.413661D+01  0.334757D+02 -0.839590D+01  0.389756D+02 -0.887742D+01
      6  -0.188557D+01 -0.110886D+02  0.524027D+01 -0.147791D+02  0.298747D+01
               271           272           273           274           275 
      1   0.162293D+02  0.119357D+02 -0.171307D+01  0.349089D+02 -0.108622D+02
      2  -0.504592D+01 -0.395074D+01  0.532787D+00 -0.988309D+01  0.325565D+02
      3  -0.111834D+02 -0.798498D+01  0.118028D+01 -0.250258D+02 -0.216943D+02
      4   0.183805D+02  0.217716D+02 -0.625903D+00  0.350686D+02  0.719636D+02
      5  -0.113974D+01 -0.582164D+00  0.107363D+02 -0.716462D-01 -0.298382D+01
      6  -0.302288D+00  0.174435D+00  0.343512D+00  0.913857D+00 -0.394870D+00
               276           277           278           279           280 
      1   0.193634D+01 -0.372000D+01  0.126563D+01 -0.131770D+01  0.760191D+01
      2  -0.107690D+01  0.107734D+01 -0.950359D+00 -0.140496D+00 -0.468155D+01
      3  -0.859444D+00  0.264266D+01 -0.315272D+00  0.145820D+01 -0.292036D+01
      4  -0.300358D+01 -0.184593D+01 -0.369144D+01  0.159904D+02 -0.222008D+01
      5   0.153540D+02  0.141519D+02  0.147611D+02 -0.953563D+00  0.820332D+01
      6   0.141935D+02  0.283358D+01  0.117947D+02 -0.369774D+01 -0.342587D+01
               281           282           283           284           285 
      1  -0.270261D+01  0.844724D+01 -0.720864D+01 -0.368369D+00  0.205071D+01
      2   0.154664D+01 -0.423783D+01  0.255120D+01  0.506922D+01 -0.222368D+01
      3   0.115597D+01 -0.420941D+01  0.465743D+01 -0.470085D+01  0.172971D+00
      4   0.262917D+01 -0.359241D+01  0.138619D+02 -0.284008D+02  0.156512D+02
      5  -0.295079D+01  0.502712D+01 -0.669283D+01  0.160979D+02 -0.224741D+02
      6   0.280220D+00 -0.439515D+00  0.306169D+01 -0.937173D+01  0.110036D+02
               286           287           288           289           290 
      1   0.178924D+02 -0.133989D+00 -0.262045D+01  0.100853D+03  0.200095D+02
      2  -0.100032D+02 -0.781968D+00 -0.448631D+01 -0.536729D+02 -0.115982D+02
      3  -0.788922D+01  0.915957D+00  0.710676D+01 -0.471804D+02 -0.841131D+01
      4  -0.122270D+02  0.210462D+02 -0.234298D+02  0.147803D+02  0.146860D+02
      5   0.167899D+02 -0.248921D+02  0.413827D+02 -0.139297D+01 -0.421926D+00
      6  -0.506712D+01  0.126214D+02 -0.145843D+02  0.794654D+00  0.427423D+00
               291           292           293           294           295 
      1  -0.248654D+01  0.417717D+02  0.156253D+02 -0.737025D+00 -0.569204D+01
      2   0.110770D+01 -0.222944D+02 -0.757254D+01  0.690100D+00  0.298641D+01
      3   0.137884D+01 -0.194772D+02 -0.805272D+01  0.469247D-01  0.270563D+01
      4  -0.430670D+00  0.174626D+02  0.141202D+02 -0.106822D+01 -0.509317D+00
      5   0.137656D+02 -0.474736D+00 -0.978752D+00  0.377285D+01  0.151388D+02
      6  -0.832744D+00  0.413672D+00  0.421337D+00  0.204840D+01 -0.283941D+00
               296           297           298           299           300 
      1  -0.988945D+00  0.107218D+02  0.670207D+01 -0.363457D+01 -0.771131D+01
      2   0.900539D+00 -0.643174D+01 -0.288635D+01  0.203770D+01  0.356258D+01
      3   0.884059D-01 -0.429009D+01 -0.381572D+01  0.159686D+01  0.414872D+01
      4  -0.161888D+01 -0.323459D+00 -0.235208D+01  0.225716D+01  0.261892D+01
      5   0.112954D+00 -0.801811D+00 -0.668226D+01  0.180096D+01  0.203359D+01
      6   0.266131D+01 -0.869907D-01  0.325406D+01  0.271980D+00  0.387077D+00
               301           302           303           304           305 
      1  -0.946459D+01 -0.151015D+01 -0.318251D+01 -0.167540D+02 -0.111958D+01
      2   0.278546D+01  0.988728D+01  0.511667D+01  0.801873D+01  0.425797D+01
      3   0.667912D+01 -0.837713D+01 -0.193416D+01  0.873525D+01 -0.313839D+01
      4   0.157083D+02 -0.365157D+02 -0.169694D+02  0.109684D+02 -0.231619D+02
      5   0.513207D+01 -0.178487D+02 -0.221417D+02  0.127908D+02 -0.243349D+02
      6  -0.275159D+01  0.102712D+02  0.103417D+02 -0.440470D+01  0.122585D+02
               306 
      1  -0.301487D+01
      2  -0.303947D+00
      3   0.331881D+01
      4  -0.227121D+02
      5  -0.295445D+02
      6   0.117081D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146622D+03      0.217271D+02      0.241747D+02
   aniso      0.293460D+02      0.434862D+01      0.483850D+01
   xx         0.165719D+03      0.245570D+02      0.273233D+02
   yx        -0.209761D+01     -0.310834D+00     -0.345849D+00
   yy         0.139964D+03      0.207405D+02      0.230769D+02
   zx        -0.765993D+00     -0.113508D+00     -0.126295D+00
   zy        -0.457057D+00     -0.677289D-01     -0.753585D-01
   zz         0.134183D+03      0.198839D+02      0.221238D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146622D+03      0.217271D+02      0.241747D+02
   aniso      0.293460D+02      0.434862D+01      0.483850D+01
   xx         0.154226D+03      0.228539D+02      0.254284D+02
   yx        -0.116438D+02     -0.172544D+01     -0.191981D+01
   yy         0.140875D+03      0.208756D+02      0.232272D+02
   zx        -0.870820D+01     -0.129042D+01     -0.143579D+01
   zy         0.533877D+01      0.791124D+00      0.880245D+00
   zz         0.144765D+03      0.214519D+02      0.238684D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-36\Freq\RM11\Gen\C12H20O2\PIERPA\10-Jul-2021\0\\#P M1
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 1.466626,-2.381766\H,0.193323,-2.210778,-0.227221\H,-1.481233,-2.41324
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 H,0.128882,1.932113,-1.369936\H,0.741881,0.427523,-2.028774\H,0.689863
 ,1.251037,0.790022\O,1.689332,-0.414672,0.16404\C,-0.691646,-0.656663,
 2.148773\C,-3.263934,-0.215407,0.272245\C,-1.976808,1.860613,0.570939\
 H,0.188258,-1.234779,2.438218\H,-1.57369,-1.214726,2.46804\H,-0.66649,
 0.284659,2.701973\H,-3.312198,-1.262484,-0.01636\H,-4.016543,0.322861,
 -0.308315\H,-3.555175,-0.148366,1.322428\H,-1.062281,2.434735,0.442068
 \H,-2.228382,1.873406,1.633417\H,-2.771733,2.392658,0.043778\C,2.86247
 9,0.235712,0.052007\C,4.017566,-0.72749,0.101407\O,2.958317,1.430494,-
 0.072931\H,3.985571,-1.30206,1.027842\H,4.952347,-0.178454,0.034385\H,
 3.942814,-1.436137,-0.724719\\Version=ES64L-G16RevA.03\State=1-A\HF=-6
 20.089649\RMSD=6.686e-09\RMSF=1.285e-05\ZeroPoint=0.3023462\Thermal=0.
 3168827\Dipole=-0.3998819,-0.6828843,0.0429923\DipoleDeriv=0.1391452,0
 .031452,-0.0140674,0.0210828,-0.0050667,0.0331508,-0.0139158,0.0256004
 ,0.0598177,0.0886784,0.0374395,-0.0264293,0.0051623,0.0356695,-0.03640
 08,-0.0207832,-0.0415216,-0.0143256,0.0655856,-0.0402185,0.0599055,-0.
 0184207,0.0638574,-0.0364955,0.0796501,-0.0657876,0.0948599,-0.0210304
 ,-0.0157756,-0.0272621,0.0173599,0.1030075,0.0051879,-0.0196617,0.0445
 806,-0.057386,0.9337517,-0.0464471,0.0731825,-0.2998242,0.2288192,0.00
 28701,-0.0025544,0.0006666,0.2357115,-0.0081824,-0.0154099,-0.0137112,
 -0.0012377,-0.0013312,-0.0030879,-0.0161268,0.0013627,0.1465547,-0.119
 0928,-0.0987687,-0.0982093,-0.0805673,-0.0089305,-0.021882,-0.0408064,
 -0.0029483,0.0149785,-0.036711,0.0642316,0.1389099,0.0229902,0.0184508
 ,-0.0278532,0.0656739,-0.0428593,-0.0976292,-0.0519708,0.1272928,-0.00
 60781,0.0910833,0.0080988,0.0059091,0.0105815,-0.0082218,0.0185143,-0.
 048759,-0.1262944,0.0514557,-0.082117,-0.0364959,0.0561431,0.0329842,0
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 0000128\\\@


 AND ALL THIS SCIENCE I DON'T UNDERSTAND
 IT'S JUST MY JOB FIVE DAYS A WEEK

                           -- ELTON JOHN, "ROCKET MAN"
 Job cpu time:       1 days  0 hours 57 minutes 21.1 seconds.
 Elapsed time:       0 days  2 hours  5 minutes  5.6 seconds.
 File lengths (MBytes):  RWF=    684 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 00:27:46 2021.
